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

Systemtic Name: methyl 6-[(5-acetamido-2-methoxy-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(5-acetamido-2-methoxy-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(5-acetamido-2-methoxyanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5-acetamido-2-methoxyphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(5-acetamido-2-methoxy-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C17H25N3O4S/c1-12(21)19-13-8-9-15(23-2)14(11-13)20-17(25)18-10-6-4-5-7-16(22)24-3/h8-9,11H,4-7,10H2,1-3H3,(H,19,21)(H2,18,20,25)