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

Systemtic Name: 3-phenylpropyl 5-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-(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(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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