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

Systemtic Name: 3-phenylpropyl 4-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S/c1-17-9-12-20(16-21(17)27-24(31)19-10-11-19)26-25(33)28-22(29)13-14-23(30)32-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9,12,16,19H,5,8,10-11,13-15H2,1H3,(H,27,31)(H2,26,28,29,33)