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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3C(C)(C)C

InChI

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