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

Systemtic Name: methyl 6-methyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[(4-methyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(4-methylpyrimidin-2-yl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H20N4O2S2 MolecularWeight: 376.4963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=NC=CC(=N3)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=NC=CC(=N3)C

InChI

InChI=1S/C17H20N4O2S2/c1-9-4-5-11-12(8-9)25-14(13(11)15(22)23-3)20-17(24)21-16-18-7-6-10(2)19-16/h6-7,9H,4-5,8H2,1-3H3,(H2,18,19,20,21,24)