N-[[4-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[4-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-[4-[(5-chloro-2-methoxyphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[[4-[4-(5-chloro-2-methoxy-benzoyl)piperazino]phenyl]thiocarbamoyl]-5-nitro-2-pyrrolidino-benzamide Formula: C30H31ClN6O5S MolecularWeight: 623.12234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5

InChI

InChI=1S/C30H31ClN6O5S/c1-42-27-11-4-20(31)18-25(27)29(39)36-16-14-34(15-17-36)22-7-5-21(6-8-22)32-30(43)33-28(38)24-19-23(37(40)41)9-10-26(24)35-12-2-3-13-35/h4-11,18-19H,2-3,12-17H2,1H3,(H2,32,33,38,43)