3-phenylpropyl 4-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[4-[ethyl(1-naphthyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[[ethyl(1-naphthalenyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[ethyl(1-naphthyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C33H33N3O4S MolecularWeight: 567.69782

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=S)NC(=O)CCC(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=S)NC(=O)CCC(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C33H33N3O4S/c1-2-36(29-16-8-14-25-13-6-7-15-28(25)29)32(39)26-17-19-27(20-18-26)34-33(41)35-30(37)21-22-31(38)40-23-9-12-24-10-4-3-5-11-24/h3-8,10-11,13-20H,2,9,12,21-23H2,1H3,(H2,34,35,37,41)