N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-4-(phenylcarbonyl)benzamide

Systemtic Name: N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-4-(phenylcarbonyl)benzamide Openeye Name: 4-benzoyl-N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide CAS Name: 4-benzoyl-N-[[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-benzoyl-N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide Traditional Name: 4-benzoyl-N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiocarbamoyl]benzamide Formula: C24H19N3O2S2 MolecularWeight: 445.55656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)S2)C

InChI

InChI=1S/C24H19N3O2S2/c1-15-8-13-19-20(14-15)31-24(27(19)2)26-23(30)25-22(29)18-11-9-17(10-12-18)21(28)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,25,29,30)