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

Systemtic Name: ethyl 2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H23ClN2O4S2 MolecularWeight: 454.99062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C20H23ClN2O4S2/c1-4-27-19(24)17-11-7-5-6-8-16(11)29-18(17)23-20(28)22-13-10-14(25-2)12(21)9-15(13)26-3/h9-10H,4-8H2,1-3H3,(H2,22,23,28)