ethyl 2-(6-methylheptan-2-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(6-methylheptan-2-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(1,5-dimethylhexylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(6-methylheptan-2-ylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(1,5-dimethylhexylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H32N2O2S2 MolecularWeight: 432.64238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC(C)CCCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC(C)CCCC(C)C

InChI

InChI=1S/C23H32N2O2S2/c1-5-27-22(26)20-15-19(14-18-12-7-6-8-13-18)29-21(20)25-23(28)24-17(4)11-9-10-16(2)3/h6-8,12-13,15-17H,5,9-11,14H2,1-4H3,(H2,24,25,28)