N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(o-tolylmethyl)indol-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-[(2-methylphenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: 2-[[1-(2-methylbenzyl)indol-3-yl]thio]-N-piperonyl-acetamide Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H24N2O3S/c1-18-6-2-3-7-20(18)14-28-15-25(21-8-4-5-9-22(21)28)32-16-26(29)27-13-19-10-11-23-24(12-19)31-17-30-23/h2-12,15H,13-14,16-17H2,1H3,(H,27,29)