phenethyl 4-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C24H27N3O4S/c1-16-19(25-23(30)18-10-11-18)8-5-9-20(16)26-24(32)27-21(28)12-13-22(29)31-15-14-17-6-3-2-4-7-17/h2-9,18H,10-15H2,1H3,(H,25,30)(H2,26,27,28,32)