4-tert-butyl-N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C30H33ClN4O2S MolecularWeight: 549.12662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)(C)C)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)(C)C)Cl

InChI

InChI=1S/C30H33ClN4O2S/c1-20-7-5-6-8-24(20)28(37)35-17-15-34(16-18-35)26-14-13-23(19-25(26)31)32-29(38)33-27(36)21-9-11-22(12-10-21)30(2,3)4/h5-14,19H,15-18H2,1-4H3,(H2,32,33,36,38)