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

Systemtic Name: 3-phenylpropyl 5-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c1-28(2)23(30)18-20-13-15-21(16-14-20)26-25(33)27-22(29)11-6-12-24(31)32-17-7-10-19-8-4-3-5-9-19/h3-5,8-9,13-16H,6-7,10-12,17-18H2,1-2H3,(H2,26,27,29,33)