methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(1-isopropyl-4-piperidyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[(1-propan-2-yl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(1-isopropyl-4-piperidyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H34N4O3S2 MolecularWeight: 454.64966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2CCN(CC2)C(C)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2CCN(CC2)C(C)C)C(=O)OC)C

InChI

InChI=1S/C21H34N4O3S2/c1-7-24(8-2)19(26)17-14(5)16(20(27)28-6)18(30-17)23-21(29)22-15-9-11-25(12-10-15)13(3)4/h13,15H,7-12H2,1-6H3,(H2,22,23,29)