3-phenylpropyl 5-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C30H33N3O4S MolecularWeight: 531.66572

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C30H33N3O4S/c1-33(22-24-13-6-3-7-14-24)29(36)25-16-8-17-26(21-25)31-30(38)32-27(34)18-9-19-28(35)37-20-10-15-23-11-4-2-5-12-23/h2-8,11-14,16-17,21H,9-10,15,18-20,22H2,1H3,(H2,31,32,34,38)