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

Systemtic Name: methyl 2-[(4-methylpiperidin-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-methylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H24N2O2S2 MolecularWeight: 352.51466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)C(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C17H24N2O2S2/c1-11-7-9-19(10-8-11)17(22)18-15-14(16(20)21-2)12-5-3-4-6-13(12)23-15/h11H,3-10H2,1-2H3,(H,18,22)