methyl 5-(phenylmethyl)-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[1-(4-propylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[1-(4-propylphenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H28N2O2S2/c1-4-8-18-11-13-20(14-12-18)17(2)26-25(30)27-23-22(24(28)29-3)16-21(31-23)15-19-9-6-5-7-10-19/h5-7,9-14,16-17H,4,8,15H2,1-3H3,(H2,26,27,30)