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

Systemtic Name: ethyl 2-[(2-aminocarbonylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2-carbamoylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2-carbamoylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2-carbamoylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-carbamoylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S2/c1-2-28-21(27)17-13-15(12-14-8-4-3-5-9-14)30-20(17)25-22(29)24-18-11-7-6-10-16(18)19(23)26/h3-11,13H,2,12H2,1H3,(H2,23,26)(H2,24,25,29)