methyl 3-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(4-methoxy-4-oxo-butyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[[(4-methoxy-4-oxobutyl)amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(4-methoxy-4-oxobutyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(4-keto-4-methoxy-butyl)thiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H20N2O4S/c1-10-6-7-11(14(19)21-3)9-12(10)17-15(22)16-8-4-5-13(18)20-2/h6-7,9H,4-5,8H2,1-3H3,(H2,16,17,22)