methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(2,6-diethylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(2,6-diethylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2,6-diethylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H26N2O2S2/c1-4-17-12-9-13-18(5-2)21(17)25-24(29)26-22-20(23(27)28-3)15-19(30-22)14-16-10-7-6-8-11-16/h6-13,15H,4-5,14H2,1-3H3,(H2,25,26,29)