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

Systemtic Name: 7-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 7-[[1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 7-[(1-pyridin-4-yl-4-piperidinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 7-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 7-[[1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c22-21(27)25-12-7-17-1-2-20(13-18(17)14-25)26-15-16-5-10-24(11-6-16)19-3-8-23-9-4-19/h1-4,8-9,13,16H,5-7,10-12,14-15H2,(H2,22,27)