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

Systemtic Name: methyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(diisobutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[bis(2-methylpropyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(diisobutylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S2/c1-15(2)13-24(14-16(3)4)22(27)23-20-19(21(25)26-5)12-18(28-20)11-17-9-7-6-8-10-17/h6-10,12,15-16H,11,13-14H2,1-5H3,(H,23,27)