N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-5-nitro-2-piperidino-benzamide Formula: C31H33ClN6O4S MolecularWeight: 621.14952

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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-])N5CCCCC5)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-])N5CCCCC5)Cl

InChI

InChI=1S/C31H33ClN6O4S/c1-21-7-3-4-8-24(21)30(40)37-17-15-36(16-18-37)28-11-9-22(19-26(28)32)33-31(43)34-29(39)25-20-23(38(41)42)10-12-27(25)35-13-5-2-6-14-35/h3-4,7-12,19-20H,2,5-6,13-18H2,1H3,(H2,33,34,39,43)