N-[[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[[4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperidino)-3-nitro-N-[[4-(4-p-anisoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C32H36N6O5S MolecularWeight: 616.73044

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)OC)[N+](=O)[O-]

InChI

InChI=1S/C32H36N6O5S/c1-22-13-15-36(16-14-22)28-12-5-24(21-29(28)38(41)42)30(39)34-32(44)33-25-6-8-26(9-7-25)35-17-19-37(20-18-35)31(40)23-3-10-27(43-2)11-4-23/h3-12,21-22H,13-20H2,1-2H3,(H2,33,34,39,44)