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

Systemtic Name: propyl 4-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-3-10-26-17(24)9-8-16(23)22-19(27)20-14-7-4-12(2)15(11-14)21-18(25)13-5-6-13/h4,7,11,13H,3,5-6,8-10H2,1-2H3,(H,21,25)(H2,20,22,23,27)