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

Systemtic Name: phenethyl 4-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CN(C)C(=O)CCC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O4S/c1-27(2)22(29)14-10-19-8-11-20(12-9-19)25-24(32)26-21(28)13-15-23(30)31-17-16-18-6-4-3-5-7-18/h3-9,11-12H,10,13-17H2,1-2H3,(H2,25,26,28,32)