methyl 3-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(4-methoxy-4-oxo-butyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-[[[(4-methoxy-4-oxobutyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methoxy-4-oxobutyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-keto-4-methoxy-butyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S2/c1-21-12(19)8-5-9-17-16(23)18-13-10-6-3-4-7-11(10)24-14(13)15(20)22-2/h3-4,6-7H,5,8-9H2,1-2H3,(H2,17,18,23)