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

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C37H40N4O3S MolecularWeight: 620.8035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCOC1=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/C37H40N4O3S/c1-2-3-14-27-44-33-22-13-11-20-31(33)35(42)39-37(45)38-32-21-12-10-19-30(32)36(43)41-25-23-40(24-26-41)34(28-15-6-4-7-16-28)29-17-8-5-9-18-29/h4-13,15-22,34H,2-3,14,23-27H2,1H3,(H2,38,39,42,45)