methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3,4-dichlorobenzyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H20Cl2N2O2S2 MolecularWeight: 443.4103

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H20Cl2N2O2S2/c1-10-3-5-12-15(7-10)27-17(16(12)18(24)25-2)23-19(26)22-9-11-4-6-13(20)14(21)8-11/h4,6,8,10H,3,5,7,9H2,1-2H3,(H2,22,23,26)