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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(valerylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H21BrN2O3S2 MolecularWeight: 469.41564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3S2/c1-3-5-6-15(23)21-19(26)22-17-16(18(24)25-4-2)14(11-27-17)12-7-9-13(20)10-8-12/h7-11H,3-6H2,1-2H3,(H2,21,22,23,26)