ethyl 5-(phenylmethyl)-2-(propylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-(propylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[propylamino(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(propylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C18H22N2O2S2/c1-3-10-19-18(23)20-16-15(17(21)22-4-2)12-14(24-16)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,19,20,23)