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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-benzylpiperidine-1-carbothioyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H33N3O3S2 MolecularWeight: 487.67782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C25H33N3O3S2/c1-5-27(6-2)23(29)21-17(3)20(24(30)31-4)22(33-21)26-25(32)28-14-12-19(13-15-28)16-18-10-8-7-9-11-18/h7-11,19H,5-6,12-16H2,1-4H3,(H,26,32)