N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1R)-1-(indan-5-ylcarbamoyl)-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1R)-1-(indan-5-ylcarbamoyl)-3-(methylthio)propyl]-3-nitro-benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=C(CCC2)C=C1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-29-11-10-19(23-20(25)16-6-3-7-18(13-16)24(27)28)21(26)22-17-9-8-14-4-2-5-15(14)12-17/h3,6-9,12-13,19H,2,4-5,10-11H2,1H3,(H,22,26)(H,23,25)/t19-/m1/s1