4-butyl-N-[4-[5-(5-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]benzamide

Systemtic Name: 4-butyl-N-[4-[5-(5-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]benzamide Openeye Name: N-[4-[3-allyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-thiazolidin-2-ylidene]-5-oxo-1-phenyl-pyrazol-3-yl]-4-butyl-benzamide CAS Name: 4-butyl-N-[4-[5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-prop-2-enyl-2-thiazolidinylidene]-5-oxo-1-phenyl-3-pyrazolyl]benzamide IUPAC Name: 4-butyl-N-[4-[5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenylpyrazol-3-yl]benzamide Traditional Name: N-[4-[3-allyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-keto-thiazolidin-2-ylidene]-5-keto-1-phenyl-2-pyrazolin-3-yl]-4-butyl-benzamide Formula: C34H30ClN5O3S2 MolecularWeight: 656.2167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=NN(C(=O)C2=C3N(C(=O)C(=C4N(C5=C(S4)C=CC(=C5)Cl)C)S3)CC=C)C6=CC=CC=C6

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=NN(C(=O)C2=C3N(C(=O)C(=C4N(C5=C(S4)C=CC(=C5)Cl)C)S3)CC=C)C6=CC=CC=C6

InChI

InChI=1S/C34H30ClN5O3S2/c1-4-6-10-21-13-15-22(16-14-21)30(41)36-29-27(31(42)40(37-29)24-11-8-7-9-12-24)33-39(19-5-2)32(43)28(45-33)34-38(3)25-20-23(35)17-18-26(25)44-34/h5,7-9,11-18,20H,2,4,6,10,19H2,1,3H3,(H,36,37,41)