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

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C27H26ClN5O4S MolecularWeight: 552.04444

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(=O)C4=CC=CC=C4C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H26ClN5O4S/c1-17-5-3-4-6-21(17)26(35)32-13-11-31(12-14-32)23-10-9-20(16-22(23)28)29-27(38)30-25(34)19-8-7-18(2)24(15-19)33(36)37/h3-10,15-16H,11-14H2,1-2H3,(H2,29,30,34,38)