6-(3-phenoxythiophen-2-yl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide

Systemtic Name: 6-(3-phenoxythiophen-2-yl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide Openeye Name: 6-(3-phenoxy-2-thienyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboxamidine CAS Name: 6-(3-phenoxy-2-thiophenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide IUPAC Name: 6-(3-phenoxythiophen-2-yl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide Traditional Name: 6-(3-phenoxy-2-thienyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboxamidine Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3C1C(NC4=C3C=C(C=C4)C(=N)N)C5=C(C=CS5)OC6=CC=CC=C6

Isomeric SMILES

C1CC2=CC=CC=C2C3C1C(NC4=C3C=C(C=C4)C(=N)N)C5=C(C=CS5)OC6=CC=CC=C6

InChI

InChI=1S/C28H25N3OS/c29-28(30)18-11-13-23-22(16-18)25-20-9-5-4-6-17(20)10-12-21(25)26(31-23)27-24(14-15-33-27)32-19-7-2-1-3-8-19/h1-9,11,13-16,21,25-26,31H,10,12H2,(H3,29,30)