N-phenyl-7-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-phenyl-7-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-phenyl-7-[[1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-phenyl-7-[(1-pyridin-4-yl-4-piperidinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-phenyl-7-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-phenyl-7-[[1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H30N4OS MolecularWeight: 458.6183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=S)NC4=CC=CC=C4)C=C2)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=S)NC4=CC=CC=C4)C=C2)C5=CC=NC=C5

InChI

InChI=1S/C27H30N4OS/c33-27(29-24-4-2-1-3-5-24)31-17-12-22-6-7-26(18-23(22)19-31)32-20-21-10-15-30(16-11-21)25-8-13-28-14-9-25/h1-9,13-14,18,21H,10-12,15-17,19-20H2,(H,29,33)