N-[[4-(aminocarbonylamino)phenyl]methyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-[(4-ureidophenyl)methyl]benzamide CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[[4-(carbamoylamino)phenyl]methyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-(4-ureidobenzyl)benzamide Formula: C20H24N4O4S MolecularWeight: 416.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4S/c1-13(2)9-10-29-18-8-5-15(11-17(18)24(27)28)19(25)22-12-14-3-6-16(7-4-14)23-20(21)26/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)(H3,21,23,26)