methyl 5-(phenylmethyl)-2-[1-(4-propan-2-ylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-[1-(4-propan-2-ylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[1-(4-isopropylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[1-(4-propan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[1-(4-propan-2-ylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(1-p-cumenylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C26H30N2O2S2 MolecularWeight: 466.6586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2S2/c1-5-23(20-13-11-19(12-14-20)17(2)3)27-26(31)28-24-22(25(29)30-4)16-21(32-24)15-18-9-7-6-8-10-18/h6-14,16-17,23H,5,15H2,1-4H3,(H2,27,28,31)