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

Systemtic Name: N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[4-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C26H24ClN5O5S MolecularWeight: 554.01726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H24ClN5O5S/c1-37-23-11-4-18(16-22(23)32(35)36)24(33)29-26(38)28-20-7-9-21(10-8-20)30-12-14-31(15-13-30)25(34)17-2-5-19(27)6-3-17/h2-11,16H,12-15H2,1H3,(H2,28,29,33,38)