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

Systemtic Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C23H19N3O2S2 MolecularWeight: 433.54586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=CC=CC=C4S3)/C(=O)C=C2)C

InChI

InChI=1S/C23H19N3O2S2/c1-13-9-14(2)11-15(10-13)21(28)26-23(29)24-16-7-8-19(27)17(12-16)22-25-18-5-3-4-6-20(18)30-22/h3-12,25H,1-2H3,(H2,24,26,28,29)/b22-17+