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

Systemtic Name: 3-phenylpropyl 5-[[4-(2-methylprop-2-enoxy)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(2-methylallyloxy)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(2-methylprop-2-enoxy)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(2-methylprop-2-enoxy)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-(2-methylallyloxy)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(=C)COC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H30N2O4S/c1-19(2)18-31-22-15-13-21(14-16-22)26-25(32)27-23(28)11-6-12-24(29)30-17-7-10-20-8-4-3-5-9-20/h3-5,8-9,13-16H,1,6-7,10-12,17-18H2,2H3,(H2,26,27,28,32)