N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C20H23N3OS2 MolecularWeight: 385.54612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C4CSCCSC4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C4CSCCSC4

InChI

InChI=1S/C20H23N3OS2/c24-20(16-3-6-21-7-4-16)22-18-2-1-15-5-8-23(12-17(15)11-18)19-13-25-9-10-26-14-19/h1-4,6-7,11,19H,5,8-10,12-14H2,(H,22,24)