4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(1S)-3-methylsulfanyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-4-(methylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1S)-3-(methylthio)-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzamide Formula: C26H34N4O4S MolecularWeight: 498.63756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H34N4O4S/c1-26(2,3)20-7-5-19(6-8-20)24(31)27-23(13-18-35-4)25(32)29-16-14-28(15-17-29)21-9-11-22(12-10-21)30(33)34/h5-12,23H,13-18H2,1-4H3,(H,27,31)/t23-/m0/s1