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

Systemtic Name: ethyl 2-[(4-methylpiperidin-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-methylpiperidine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-methylpiperidine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-methylpiperidine-1-carbothioyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCC(CC3)C

InChI

InChI=1S/C21H26N2O2S2/c1-3-25-20(24)18-14-17(13-16-7-5-4-6-8-16)27-19(18)22-21(26)23-11-9-15(2)10-12-23/h4-8,14-15H,3,9-13H2,1-2H3,(H,22,26)