methyl 6-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-methoxy-5-methylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C16H24N2O3S/c1-12-8-9-14(20-2)13(11-12)18-16(22)17-10-6-4-5-7-15(19)21-3/h8-9,11H,4-7,10H2,1-3H3,(H2,17,18,22)