N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(phenylmethyl)indol-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(phenylmethyl)indol-3-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylindol-3-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(phenylmethyl)-3-indolyl]thio]acetamide IUPAC Name: 2-(1-benzylindol-3-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(1-benzylindol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N2O3S/c28-25(26-19-10-11-22-23(14-19)30-13-12-29-22)17-31-24-16-27(15-18-6-2-1-3-7-18)21-9-5-4-8-20(21)24/h1-11,14,16H,12-13,15,17H2,(H,26,28)