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

Systemtic Name: propyl 4-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N(CC)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N(CC)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C27H29N3O4S/c1-3-18-34-25(32)17-16-24(31)29-27(35)28-21-14-12-20(13-15-21)26(33)30(4-2)23-11-7-9-19-8-5-6-10-22(19)23/h5-15H,3-4,16-18H2,1-2H3,(H2,28,29,31,35)