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

Systemtic Name: 3-phenylpropyl 5-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C38H42N4O5S2 MolecularWeight: 698.89388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H42N4O5S2/c43-35(19-10-20-36(44)47-29-11-14-30-12-4-1-5-13-30)40-38(48)39-33-21-23-34(24-22-33)49(45,46)42-27-25-41(26-28-42)37(31-15-6-2-7-16-31)32-17-8-3-9-18-32/h1-9,12-13,15-18,21-24,37H,10-11,14,19-20,25-29H2,(H2,39,40,43,48)