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

Systemtic Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3,4-dichlorobenzyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H18Cl2N2O2S2 MolecularWeight: 429.38372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O2S2/c1-24-17(23)15-11-4-2-3-5-14(11)26-16(15)22-18(25)21-9-10-6-7-12(19)13(20)8-10/h6-8H,2-5,9H2,1H3,(H2,21,22,25)