methyl 5-(diethylcarbamoyl)-4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(tetralin-1-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[sulfanylidene-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(tetralin-1-ylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2CCCC3=CC=CC=C23)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2CCCC3=CC=CC=C23)C(=O)OC)C

InChI

InChI=1S/C23H29N3O3S2/c1-5-26(6-2)21(27)19-14(3)18(22(28)29-4)20(31-19)25-23(30)24-17-13-9-11-15-10-7-8-12-16(15)17/h7-8,10,12,17H,5-6,9,11,13H2,1-4H3,(H2,24,25,30)