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

Systemtic Name: 3-phenylpropyl 5-[[4-(2-methylpropanoylamino)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(2-methylpropanoylamino)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(2-methylpropanoylamino)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-(isobutyrylamino)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

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