methyl 2-[(2-butan-2-ylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-butan-2-ylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(2-sec-butylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2-butan-2-ylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(2-butan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-sec-butylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H26N2O2S2/c1-4-16(2)19-12-8-9-13-21(19)25-24(29)26-22-20(23(27)28-3)15-18(30-22)14-17-10-6-5-7-11-17/h5-13,15-16H,4,14H2,1-3H3,(H2,25,26,29)