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

Systemtic Name: methyl 2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H23ClN2O4S2 MolecularWeight: 454.99062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C20H23ClN2O4S2/c1-10-5-6-11-16(7-10)29-18(17(11)19(24)27-4)23-20(28)22-13-9-14(25-2)12(21)8-15(13)26-3/h8-10H,5-7H2,1-4H3,(H2,22,23,28)