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

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C26H24ClN5O4S MolecularWeight: 538.01786

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN5O4S/c1-17-5-2-3-8-21(17)25(34)31-13-11-30(12-14-31)23-10-9-19(16-22(23)27)28-26(37)29-24(33)18-6-4-7-20(15-18)32(35)36/h2-10,15-16H,11-14H2,1H3,(H2,28,29,33,37)