N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O3S/c1-19-15-7-4-13(10-16(15)21(23)24)17(22)20-8-9-25-11-12-2-5-14(18)6-3-12/h2-7,10,19H,8-9,11H2,1H3,(H,20,22)