methyl 5-(phenylmethyl)-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(1-phenylpropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(1-phenylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H24N2O2S2 MolecularWeight: 424.57886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O2S2/c1-3-20(17-12-8-5-9-13-17)24-23(28)25-21-19(22(26)27-2)15-18(29-21)14-16-10-6-4-7-11-16/h4-13,15,20H,3,14H2,1-2H3,(H2,24,25,28)