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

Systemtic Name: N-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C23H19N3O4S2 MolecularWeight: 465.54466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C=C2)OC

InChI

InChI=1S/C23H19N3O4S2/c1-29-15-9-13(10-16(12-15)30-2)21(28)26-23(31)24-14-7-8-17(19(27)11-14)22-25-18-5-3-4-6-20(18)32-22/h3-12,25H,1-2H3,(H2,24,26,28,31)/b22-17+