N-[2-(4,5-diphenyl-1-propan-2-yl-imidazol-2-yl)sulfanylethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(4,5-diphenyl-1-propan-2-yl-imidazol-2-yl)sulfanylethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(1-isopropyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[(4,5-diphenyl-1-propan-2-yl-2-imidazolyl)thio]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[(1-isopropyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]-piperonylamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(N=C1SCCNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)N1C(=C(N=C1SCCNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3S/c1-19(2)31-26(21-11-7-4-8-12-21)25(20-9-5-3-6-10-20)30-28(31)35-16-15-29-27(32)22-13-14-23-24(17-22)34-18-33-23/h3-14,17,19H,15-16,18H2,1-2H3,(H,29,32)