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

Systemtic Name: ethyl 4-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4S/c1-3-29(22-11-7-9-18-8-5-6-10-21(18)22)25(32)19-12-14-20(15-13-19)27-26(34)28-23(30)16-17-24(31)33-4-2/h5-15H,3-4,16-17H2,1-2H3,(H2,27,28,30,34)