3-phenylpropyl 5-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C39H42N4O4S MolecularWeight: 662.84018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)CCCC(=O)OCCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)CCCC(=O)OCCCC5=CC=CC=C5

InChI

InChI=1S/C39H42N4O4S/c44-35(23-12-24-36(45)47-29-13-16-30-14-4-1-5-15-30)41-39(48)40-34-22-11-10-21-33(34)38(46)43-27-25-42(26-28-43)37(31-17-6-2-7-18-31)32-19-8-3-9-20-32/h1-11,14-15,17-22,37H,12-13,16,23-29H2,(H2,40,41,44,48)