methyl 4-ethyl-5-methyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-benzylpiperidine-1-carbothioyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCC(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCC(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O2S2/c1-4-18-15(2)28-20(19(18)21(25)26-3)23-22(27)24-12-10-17(11-13-24)14-16-8-6-5-7-9-16/h5-9,17H,4,10-14H2,1-3H3,(H,23,27)