methyl 2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4,6-dimethyl-2-pyridyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(4,6-dimethyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4,6-dimethyl-2-pyridyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

InChI

InChI=1S/C18H21N3O2S2/c1-10-8-11(2)19-14(9-10)20-18(24)21-16-15(17(22)23-3)12-6-4-5-7-13(12)25-16/h8-9H,4-7H2,1-3H3,(H2,19,20,21,24)