methyl 2-[bis(phenylmethyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[bis(phenylmethyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(dibenzylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[bis(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(dibenzylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(dibenzylthiocarbamoylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C27H31N3O3S2/c1-5-29(6-2)25(31)23-19(3)22(26(32)33-4)24(35-23)28-27(34)30(17-20-13-9-7-10-14-20)18-21-15-11-8-12-16-21/h7-16H,5-6,17-18H2,1-4H3,(H,28,34)