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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[1-(o-tolylmethyl)indol-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-[(2-methylphenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(2-methylbenzyl)indol-3-yl]thio]acetamide Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O3S/c1-17-6-2-3-7-18(17)13-27-14-24(20-8-4-5-9-21(20)27)31-15-25(28)26-19-10-11-22-23(12-19)30-16-29-22/h2-12,14H,13,15-16H2,1H3,(H,26,28)