N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methyl-benzamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-methyl-benzamide Formula: C23H19N3OS2 MolecularWeight: 417.54646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H19N3OS2/c1-14-6-5-7-16(12-14)21(27)26-23(28)25-18-11-10-17(13-15(18)2)22-24-19-8-3-4-9-20(19)29-22/h3-13H,1-2H3,(H2,25,26,27,28)