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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)Cl

InChI

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