methyl 2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H21ClN2O4S2 MolecularWeight: 440.96404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC)Cl

InChI

InChI=1S/C19H21ClN2O4S2/c1-24-13-9-12(14(25-2)8-11(13)20)21-19(27)22-17-16(18(23)26-3)10-6-4-5-7-15(10)28-17/h8-9H,4-7H2,1-3H3,(H2,21,22,27)