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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: 2-[[1-(2,5-dimethylbenzyl)indol-3-yl]thio]-N-piperonyl-acetamide Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H26N2O3S/c1-18-7-8-19(2)21(11-18)14-29-15-26(22-5-3-4-6-23(22)29)33-16-27(30)28-13-20-9-10-24-25(12-20)32-17-31-24/h3-12,15H,13-14,16-17H2,1-2H3,(H,28,30)