N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C35H36N4O3S MolecularWeight: 592.75034

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H36N4O3S/c1-2-25-42-31-20-12-10-18-29(31)33(40)37-35(43)36-30-19-11-9-17-28(30)34(41)39-23-21-38(22-24-39)32(26-13-5-3-6-14-26)27-15-7-4-8-16-27/h3-20,32H,2,21-25H2,1H3,(H2,36,37,40,43)