methyl 3-chloranyl-6-[(4-methylpiperidin-1-yl)carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-methylpiperidin-1-yl)carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-methylpiperidine-1-carbothioyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-methylpiperidine-1-carbothioyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-methylpiperidine-1-carbothioyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H19ClN2O2S2 MolecularWeight: 382.92796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1CCN(CC1)C(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H19ClN2O2S2/c1-10-5-7-20(8-6-10)17(23)19-11-3-4-12-13(9-11)24-15(14(12)18)16(21)22-2/h3-4,9-10H,5-8H2,1-2H3,(H,19,23)