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

Systemtic Name: N-[3-(aminocarbonylamino)phenyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-(3-ureidophenyl)benzamide CAS Name: N-[3-(carbamoylamino)phenyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[3-(carbamoylamino)phenyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-(3-ureidophenyl)benzamide Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S/c1-12(2)8-9-28-17-7-6-13(10-16(17)23(26)27)18(24)21-14-4-3-5-15(11-14)22-19(20)25/h3-7,10-12H,8-9H2,1-2H3,(H,21,24)(H3,20,22,25)