N-(2-methylsulfanylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-methylsulfanylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(methylthio)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-methylsulfanylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(methylthio)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c1-25-17-7-3-2-6-14(17)19-18(22)13-8-9-15(16(12-13)21(23)24)20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,19,22)