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

Systemtic Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenyl-cyclopropane-1-carboxamide Openeye Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenyl-cyclopropanecarboxamide CAS Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenyl-1-cyclopropanecarboxamide IUPAC Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide Traditional Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenyl-cyclopropanecarboxamide Formula: C24H28N2OS2 MolecularWeight: 424.62192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3(CC3)C4=CC=CC=C4)C5CSCCSC5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3(CC3)C4=CC=CC=C4)C5CSCCSC5

InChI

InChI=1S/C24H28N2OS2/c27-23(24(9-10-24)20-4-2-1-3-5-20)25-21-7-6-18-8-11-26(15-19(18)14-21)22-16-28-12-13-29-17-22/h1-7,14,22H,8-13,15-17H2,(H,25,27)