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

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(3-nitrophenyl)-2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-(valerylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C19H21N3O5S2/c1-3-5-9-15(23)20-19(28)21-17-16(18(24)27-4-2)14(11-29-17)12-7-6-8-13(10-12)22(25)26/h6-8,10-11H,3-5,9H2,1-2H3,(H2,20,21,23,28)