3-phenylpropyl 4-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O4S/c1-24-21(28)16-18-9-11-19(12-10-18)25-23(31)26-20(27)13-14-22(29)30-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,24,28)(H2,25,26,27,31)