methyl 2-(dibutylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(dibutylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(dibutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(dibutylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(dibutylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(dibutylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S2/c1-4-6-13-24(14-7-5-2)22(27)23-20-19(21(25)26-3)16-18(28-20)15-17-11-9-8-10-12-17/h8-12,16H,4-7,13-15H2,1-3H3,(H,23,27)