methyl 3-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(6-methoxy-6-oxo-hexyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[[(6-methoxy-6-oxohexyl)amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(6-methoxy-6-oxohexyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(6-keto-6-methoxy-hexyl)thiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-12-8-9-13(16(21)23-3)11-14(12)19-17(24)18-10-6-4-5-7-15(20)22-2/h8-9,11H,4-7,10H2,1-3H3,(H2,18,19,24)