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

Systemtic Name: methyl 2-(6-methylheptan-2-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(1,5-dimethylhexylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(6-methylheptan-2-ylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(1,5-dimethylhexylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)CCCC(C)NC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H30N2O2S2/c1-15(2)9-8-10-16(3)23-22(27)24-20-19(21(25)26-4)14-18(28-20)13-17-11-6-5-7-12-17/h5-7,11-12,14-16H,8-10,13H2,1-4H3,(H2,23,24,27)