N-(1,3-benzodioxol-5-ylmethyl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(1,4,5-triphenyl-2-imidazolyl)thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutanamide Traditional Name: N-piperonyl-4-[(1,4,5-triphenylimidazol-2-yl)thio]butyramide Formula: C33H29N3O3S MolecularWeight: 547.66666

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H29N3O3S/c37-30(34-22-24-18-19-28-29(21-24)39-23-38-28)17-10-20-40-33-35-31(25-11-4-1-5-12-25)32(26-13-6-2-7-14-26)36(33)27-15-8-3-9-16-27/h1-9,11-16,18-19,21H,10,17,20,22-23H2,(H,34,37)