methyl 3-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(6-methoxy-6-oxo-hexyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-[[[(6-methoxy-6-oxohexyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(6-methoxy-6-oxohexyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(6-keto-6-methoxy-hexyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=C(SC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=C(SC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C18H22N2O4S2/c1-23-14(21)10-4-3-7-11-19-18(25)20-15-12-8-5-6-9-13(12)26-16(15)17(22)24-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,19,20,25)