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

Systemtic Name: ethyl 5-methyl-2-[(2-methylpiperidin-1-yl)carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(2-methylpiperidine-1-carbothioyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(2-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(2-methylpiperidine-1-carbothioyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(2-methylpiperidine-1-carbothioyl)amino]-4-phenyl-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(=C1C2=CC=CC=C2)C)NC(=S)N3CCCCC3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCCCC3C

InChI

InChI=1S/C21H26N2O2S2/c1-4-25-20(24)18-17(16-11-6-5-7-12-16)15(3)27-19(18)22-21(26)23-13-9-8-10-14(23)2/h5-7,11-12,14H,4,8-10,13H2,1-3H3,(H,22,26)