2-chloranyl-5-methyl-6-piperidin-1-yl-6-sulfanylidene-9,13b-dihydro-8H-isoquinolino[2,1-c][1,3,2]benzodiazaphosphinine

Systemtic Name: 2-chloranyl-5-methyl-6-piperidin-1-yl-6-sulfanylidene-9,13b-dihydro-8H-isoquinolino[2,1-c][1,3,2]benzodiazaphosphinine Openeye Name: 2-chloro-5-methyl-6-(1-piperidyl)-6-thioxo-9,13b-dihydro-8H-isoquinolino[2,1-c][1,3,2]benzodiazaphosphinine CAS Name: 2-chloro-5-methyl-6-(1-piperidinyl)-6-sulfanylidene-9,13b-dihydro-8H-isoquinolino[2,1-c][1,3,2]benzodiazaphosphorine IUPAC Name: 2-chloro-5-methyl-6-piperidin-1-yl-6-sulfanylidene-9,13b-dihydro-8H-isoquinolino[2,1-c][1,3,2]benzodiazaphosphinine Traditional Name: 2-chloro-5-methyl-6-piperidino-6-thioxo-9,13b-dihydro-8H-isoquinolino[2,1-c][1,3,2]benzodiazaphosphorine Formula: C21H25ClN3PS MolecularWeight: 417.935061

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C3C4=CC=CC=C4CCN3P1(=S)N5CCCCC5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C3C4=CC=CC=C4CCN3P1(=S)N5CCCCC5

InChI

InChI=1S/C21H25ClN3PS/c1-23-20-10-9-17(22)15-19(20)21-18-8-4-3-7-16(18)11-14-25(21)26(23,27)24-12-5-2-6-13-24/h3-4,7-10,15,21H,2,5-6,11-14H2,1H3