3-phenylpropyl 5-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-25-22(29)17-19-12-14-20(15-13-19)26-24(32)27-21(28)10-5-11-23(30)31-16-6-9-18-7-3-2-4-8-18/h2-4,7-8,12-15H,5-6,9-11,16-17H2,1H3,(H,25,29)(H2,26,27,28,32)