N-[2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[2-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[2-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[2-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Formula: C31H32N4O3S2 MolecularWeight: 572.74078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)N5CCCC5

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)N5CCCC5

InChI

InChI=1S/C31H32N4O3S2/c1-3-20-10-9-11-21(4-2)28(20)34-27(36)19-39-31-33-25-15-14-22(18-26(25)40-31)32-29(37)23-12-5-6-13-24(23)30(38)35-16-7-8-17-35/h5-6,9-15,18H,3-4,7-8,16-17,19H2,1-2H3,(H,32,37)(H,34,36)