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

Systemtic Name: 3-phenylpropyl 5-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-(isovalerylamino)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4S/c1-19(2)18-24(31)27-21-13-15-22(16-14-21)28-26(34)29-23(30)11-6-12-25(32)33-17-7-10-20-8-4-3-5-9-20/h3-5,8-9,13-16,19H,6-7,10-12,17-18H2,1-2H3,(H,27,31)(H2,28,29,30,34)