[5-oxidanyl-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)methanone

Systemtic Name: [5-oxidanyl-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)methanone Openeye Name: [5-hydroxy-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(6-thioxocyclohexa-1,3-dien-1-yl)methanone CAS Name: [5-hydroxy-1-(1-pyrrolidinylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)methanone IUPAC Name: [5-hydroxy-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)methanone Traditional Name: [5-hydroxy-1-(pyrrolidinomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(6-thioxocyclohexa-1,3-dien-1-yl)methanone Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2C3=C(CCN2C(=O)C4=CC=CCC4=S)C(=CC=C3)O

Isomeric SMILES

C1CCN(C1)CC2C3=C(CCN2C(=O)C4=CC=CCC4=S)C(=CC=C3)O

InChI

InChI=1S/C21H24N2O2S/c24-19-8-5-7-15-16(19)10-13-23(18(15)14-22-11-3-4-12-22)21(25)17-6-1-2-9-20(17)26/h1-2,5-8,18,24H,3-4,9-14H2