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

Systemtic Name: methyl 4-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-3-28(21-10-6-8-17-7-4-5-9-20(17)21)24(31)18-11-13-19(14-12-18)26-25(33)27-22(29)15-16-23(30)32-2/h4-14H,3,15-16H2,1-2H3,(H2,26,27,29,33)