N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[3-chloro-4-(4-methylpiperazino)phenyl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C21H25ClN4OS MolecularWeight: 416.9674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C)Cl)C

InChI

InChI=1S/C21H25ClN4OS/c1-14-4-5-16(12-15(14)2)20(27)24-21(28)23-17-6-7-19(18(22)13-17)26-10-8-25(3)9-11-26/h4-7,12-13H,8-11H2,1-3H3,(H2,23,24,27,28)