N-(1,3-benzodioxol-5-ylmethyl)-4-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylbutanamide Traditional Name: 4-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]-N-piperonyl-butyramide Formula: C31H33N3O3S MolecularWeight: 527.67702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O3S/c1-2-3-18-34-30(25-13-8-5-9-14-25)29(24-11-6-4-7-12-24)33-31(34)38-19-10-15-28(35)32-21-23-16-17-26-27(20-23)37-22-36-26/h4-9,11-14,16-17,20H,2-3,10,15,18-19,21-22H2,1H3,(H,32,35)