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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)C

InChI

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