N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-3-nitro-4-(p-tolylthio)benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-13-5-8-15(9-6-13)28-17-10-7-14(11-16(17)23(26)27)19(25)21-12-18(24)22-20(2,3)4/h5-11H,12H2,1-4H3,(H,21,25)(H,22,24)