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

Systemtic Name: ethyl 4-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)C)NC(=O)C2CC2

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)C)NC(=O)C2CC2

InChI

InChI=1S/C18H23N3O4S/c1-3-25-16(23)9-8-15(22)21-18(26)19-13-7-4-11(2)14(10-13)20-17(24)12-5-6-12/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,20,24)(H2,19,21,22,26)