4-butoxy-N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[4-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C29H31ClN4O3S MolecularWeight: 551.09944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H31ClN4O3S/c1-2-3-20-37-26-14-6-21(7-15-26)27(35)32-29(38)31-24-10-12-25(13-11-24)33-16-18-34(19-17-33)28(36)22-4-8-23(30)9-5-22/h4-15H,2-3,16-20H2,1H3,(H2,31,32,35,38)