propyl 4-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4S/c1-4-13-26-18(25)12-10-16(23)21-19(27)20-15-8-5-14(6-9-15)7-11-17(24)22(2)3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H2,20,21,23,27)