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

Systemtic Name: 3-phenylpropyl 5-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-(cyclopropanecarbonylamino)-4-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=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)NC(=O)C3CC3

InChI

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