N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-5-nitro-2-pyrrolidino-benzamide Formula: C26H23N5O4S2 MolecularWeight: 533.62192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3S2)C1=O)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=CC=CC=C3S2)/C1=O)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5

InChI

InChI=1S/C26H23N5O4S2/c1-15-12-16(13-19(23(15)32)25-28-20-6-2-3-7-22(20)37-25)27-26(36)29-24(33)18-14-17(31(34)35)8-9-21(18)30-10-4-5-11-30/h2-3,6-9,12-14,28H,4-5,10-11H2,1H3,(H2,27,29,33,36)/b25-19+