2-[3-(butanoylamino)phenyl]sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide

Systemtic Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide Openeye Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(2-methyl-5-nitrophenyl)butanamide Traditional Name: 2-[(3-butyramidophenyl)thio]-N-(2-methyl-5-nitro-phenyl)butyramide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O4S/c1-4-7-20(25)22-15-8-6-9-17(12-15)29-19(5-2)21(26)23-18-13-16(24(27)28)11-10-14(18)3/h6,8-13,19H,4-5,7H2,1-3H3,(H,22,25)(H,23,26)