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

Systemtic Name: phenethyl 4-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CN(C)C(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O4S/c1-26(2)21(28)16-18-8-10-19(11-9-18)24-23(31)25-20(27)12-13-22(29)30-15-14-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3,(H2,24,25,27,31)