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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[1-(phenylmethyl)piperidin-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(1-benzyl-4-piperidyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-benzylpiperidin-4-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(1-benzyl-4-piperidyl)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)N(C)C

InChI

InChI=1S/C23H30N4O3S2/c1-15-18(22(29)30-4)20(32-19(15)21(28)26(2)3)25-23(31)24-17-10-12-27(13-11-17)14-16-8-6-5-7-9-16/h5-9,17H,10-14H2,1-4H3,(H2,24,25,31)