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

Systemtic Name: N-[[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-nitro-N-[[4-(4-p-anisoylpiperazino)phenyl]thiocarbamoyl]-2-pyrrolidino-benzamide Formula: C30H32N6O5S MolecularWeight: 588.67728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)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=CC=C(C=C1)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/C30H32N6O5S/c1-41-25-11-4-21(5-12-25)29(38)35-18-16-33(17-19-35)23-8-6-22(7-9-23)31-30(42)32-28(37)26-20-24(36(39)40)10-13-27(26)34-14-2-3-15-34/h4-13,20H,2-3,14-19H2,1H3,(H2,31,32,37,42)