propyl 4-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-4-11-25-17(24)10-9-15(22)20-18(26)19-14-7-5-13(6-8-14)12-16(23)21(2)3/h5-8H,4,9-12H2,1-3H3,(H2,19,20,22,26)