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

Systemtic Name: N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[4-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C29H29ClN6O4S MolecularWeight: 593.09636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C29H29ClN6O4S/c30-22-6-3-20(4-7-22)28(38)35-17-15-33(16-18-35)24-10-8-23(9-11-24)31-29(41)32-27(37)21-5-12-25(26(19-21)36(39)40)34-13-1-2-14-34/h3-12,19H,1-2,13-18H2,(H2,31,32,37,41)