ethyl 2-(pentanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(pentanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(pentanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(pentanoylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 4-phenyl-2-(valerylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H22N2O3S2/c1-3-5-11-15(22)20-19(25)21-17-16(18(23)24-4-2)14(12-26-17)13-9-7-6-8-10-13/h6-10,12H,3-5,11H2,1-2H3,(H2,20,21,22,25)