N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[4-[4-(4-ethylbenzoyl)piperazino]phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C31H34N6O4S MolecularWeight: 586.70446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C31H34N6O4S/c1-2-22-5-7-23(8-6-22)30(39)36-19-17-34(18-20-36)26-12-10-25(11-13-26)32-31(42)33-29(38)24-9-14-27(28(21-24)37(40)41)35-15-3-4-16-35/h5-14,21H,2-4,15-20H2,1H3,(H2,32,33,38,42)