3-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylindol-3-yl)-1,3-thiazinan-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylindol-3-yl)-1,3-thiazinan-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylindol-3-yl)-1,3-thiazinan-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyl-3-indolyl)-1,3-thiazinan-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylindol-3-yl)-1,3-thiazinan-4-one Traditional Name: 2-(1-methylindol-3-yl)-3-piperonyl-1,3-thiazinan-4-one Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3N(C(=O)CCS3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3N(C(=O)CCS3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N2O3S/c1-22-12-16(15-4-2-3-5-17(15)22)21-23(20(24)8-9-27-21)11-14-6-7-18-19(10-14)26-13-25-18/h2-7,10,12,21H,8-9,11,13H2,1H3