methyl 2-[(3-methylpiperidin-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-methylpiperidin-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(3-methylpiperidine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(3-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(3-methylpiperidine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-methylpiperidine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1CCCN(C1)C(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H24N2O2S2/c1-14-7-6-10-22(13-14)20(25)21-18-17(19(23)24-2)12-16(26-18)11-15-8-4-3-5-9-15/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3,(H,21,25)