ethyl 2-[(4-butylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-butylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-butylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-butylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-butylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-butylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H28N2O2S2/c1-3-5-9-18-12-14-20(15-13-18)26-25(30)27-23-22(24(28)29-4-2)17-21(31-23)16-19-10-7-6-8-11-19/h6-8,10-15,17H,3-5,9,16H2,1-2H3,(H2,26,27,30)