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

Systemtic Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methylphenyl)propanamide Openeye Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(p-tolyl)propanamide CAS Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methylphenyl)propanamide IUPAC Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methylphenyl)propanamide Traditional Name: N-[2-(1,4-dithiepan-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(p-tolyl)propionamide Formula: C24H30N2OS2 MolecularWeight: 426.6378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(CCN(C3)C4CSCCSC4)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(CCN(C3)C4CSCCSC4)C=C2

InChI

InChI=1S/C24H30N2OS2/c1-18-2-4-19(5-3-18)6-9-24(27)25-22-8-7-20-10-11-26(15-21(20)14-22)23-16-28-12-13-29-17-23/h2-5,7-8,14,23H,6,9-13,15-17H2,1H3,(H,25,27)