4-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-methylsulfanyl-1-[2-(2-thienyl)ethylcarbamoyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(methylthio)-1-oxo-1-(2-thiophen-2-ylethylamino)butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-methylsulfanyl-1-oxo-1-(2-thiophen-2-ylethylamino)butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(methylthio)-1-[2-(2-thienyl)ethylcarbamoyl]propyl]-3-nitro-benzamide Formula: C18H20ClN3O4S2 MolecularWeight: 441.9521

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CC=CS1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NCCC1=CC=CS1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O4S2/c1-27-10-7-15(18(24)20-8-6-13-3-2-9-28-13)21-17(23)12-4-5-14(19)16(11-12)22(25)26/h2-5,9,11,15H,6-8,10H2,1H3,(H,20,24)(H,21,23)