propan-2-yl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[(2-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(o-anisylthiocarbamoylamino)butyric acid isopropyl ester Formula: C17H26N2O3S2 MolecularWeight: 370.52994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=S)NCC1=CC=CC=C1OC

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=S)NCC1=CC=CC=C1OC

InChI

InChI=1S/C17H26N2O3S2/c1-12(2)22-16(20)14(9-10-24-4)19-17(23)18-11-13-7-5-6-8-15(13)21-3/h5-8,12,14H,9-11H2,1-4H3,(H2,18,19,23)