ethyl 5-(phenylmethyl)-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(2-thienylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[sulfanylidene-(thiophen-2-ylmethylamino)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(2-thenylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H20N2O2S3 MolecularWeight: 416.58

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=CS3

InChI

InChI=1S/C20H20N2O2S3/c1-2-24-19(23)17-12-16(11-14-7-4-3-5-8-14)27-18(17)22-20(25)21-13-15-9-6-10-26-15/h3-10,12H,2,11,13H2,1H3,(H2,21,22,25)