7-butoxy-11-[3-(dimethylamino)propyl]-N-oxidanidyl-6H-benzo[c][1]benzothiepine-11-carboxamide

Systemtic Name: 7-butoxy-11-[3-(dimethylamino)propyl]-N-oxidanidyl-6H-benzo[c][1]benzothiepine-11-carboxamide Openeye Name: 7-butoxy-11-[3-(dimethylamino)propyl]-N-oxido-6H-benzo[c][1]benzothiepine-11-carboxamide CAS Name: 7-butoxy-11-[3-(dimethylamino)propyl]-N-oxido-6H-benzo[c][1]benzothiepin-11-carboxamide IUPAC Name: 7-butoxy-11-[3-(dimethylamino)propyl]-N-oxido-6H-benzo[c][1]benzothiepine-11-carboxamide Traditional Name: 7-butoxy-11-[3-(dimethylamino)propyl]-N-oxido-6H-benzo[c][1]benzothiepin-11-carboxamide Formula: C24H31N2O3S- MolecularWeight: 427.57954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC2=C1CSC3=CC=CC=C3C2(CCCN(C)C)C(=O)N[O-]

Isomeric SMILES

CCCCOC1=CC=CC2=C1CSC3=CC=CC=C3C2(CCCN(C)C)C(=O)N[O-]

InChI

InChI=1S/C24H31N2O3S/c1-4-5-16-29-21-12-8-11-19-18(21)17-30-22-13-7-6-10-20(22)24(19,23(27)25-28)14-9-15-26(2)3/h6-8,10-13H,4-5,9,14-17H2,1-3H3,(H-,25,27,28)/q-1