N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methoxy-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-methoxy-3-(phenylthio)-1H-indole-2-carboxamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)NCCCN3CCC4=CC=CC=C4C3)SC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)NCCCN3CCC4=CC=CC=C4C3)SC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2S/c1-33-22-12-13-24-25(18-22)30-26(27(24)34-23-10-3-2-4-11-23)28(32)29-15-7-16-31-17-14-20-8-5-6-9-21(20)19-31/h2-6,8-13,18,30H,7,14-17,19H2,1H3,(H,29,32)