N-[4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylbutyl]-3-nitro-benzamide

Systemtic Name: N-[4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylbutyl]-3-nitro-benzamide Openeye Name: N-[4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylbutyl]-3-nitro-benzamide CAS Name: N-[4-[(4,5-diphenyl-1-propyl-2-imidazolyl)thio]butyl]-3-nitrobenzamide IUPAC Name: N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-3-nitrobenzamide Traditional Name: N-[4-[(4,5-diphenyl-1-propyl-imidazol-2-yl)thio]butyl]-3-nitro-benzamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(N=C1SCCCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N4O3S/c1-2-19-32-27(23-14-7-4-8-15-23)26(22-12-5-3-6-13-22)31-29(32)37-20-10-9-18-30-28(34)24-16-11-17-25(21-24)33(35)36/h3-8,11-17,21H,2,9-10,18-20H2,1H3,(H,30,34)