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

Systemtic Name: 3-phenylpropyl 5-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C26H31N3O4S/c1-18-21(27-25(32)20-15-16-20)11-5-12-22(18)28-26(34)29-23(30)13-6-14-24(31)33-17-7-10-19-8-3-2-4-9-19/h2-5,8-9,11-12,20H,6-7,10,13-17H2,1H3,(H,27,32)(H2,28,29,30,34)