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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutanamide Traditional Name: 4-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]-N-piperonyl-butyramide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=C(N=C1SCCCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3S/c1-2-32-28(23-12-7-4-8-13-23)27(22-10-5-3-6-11-22)31-29(32)36-17-9-14-26(33)30-19-21-15-16-24-25(18-21)35-20-34-24/h3-8,10-13,15-16,18H,2,9,14,17,19-20H2,1H3,(H,30,33)