isoquinolin-1-yl-[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone

Systemtic Name: isoquinolin-1-yl-[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone Openeye Name: [4-[4-[(4-isopropylsulfanylphenyl)methyl]-1-piperidyl]-1-piperidyl]-(1-isoquinolyl)methanone CAS Name: 1-isoquinolinyl-[4-[4-[[4-(propan-2-ylthio)phenyl]methyl]-1-piperidinyl]-1-piperidinyl]methanone IUPAC Name: isoquinolin-1-yl-[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone Traditional Name: [4-[4-[4-(isopropylthio)benzyl]piperidino]piperidino]-(1-isoquinolyl)methanone Formula: C30H37N3OS MolecularWeight: 487.69928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC2CCN(CC2)C3CCN(CC3)C(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC2CCN(CC2)C3CCN(CC3)C(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C30H37N3OS/c1-22(2)35-27-9-7-23(8-10-27)21-24-12-17-32(18-13-24)26-14-19-33(20-15-26)30(34)29-28-6-4-3-5-25(28)11-16-31-29/h3-11,16,22,24,26H,12-15,17-21H2,1-2H3