4-azanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-azanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-benzamide Openeye Name: 4-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-benzamide CAS Name: 4-amino-N-methyl-N-[[4-(methylthio)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-amino-N-methyl-N-[4-(methylthio)benzyl]-3-nitro-benzamide Formula: C16H17N3O3S MolecularWeight: 331.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3S/c1-18(10-11-3-6-13(23-2)7-4-11)16(20)12-5-8-14(17)15(9-12)19(21)22/h3-9H,10,17H2,1-2H3