2-[3-[cyclohexyl(methyl)amino]-2-propoxy-phenyl]-4H-1,4-benzothiazin-3-one hydrochloride

Systemtic Name: 2-[3-[cyclohexyl(methyl)amino]-2-propoxy-phenyl]-4H-1,4-benzothiazin-3-one hydrochloride Openeye Name: 2-[3-[cyclohexyl(methyl)amino]-2-propoxy-phenyl]-4H-1,4-benzothiazin-3-one hydrochloride CAS Name: 2-[3-[cyclohexyl(methyl)amino]-2-propoxyphenyl]-4H-1,4-benzothiazin-3-one hydrochloride IUPAC Name: 2-[3-[cyclohexyl(methyl)amino]-2-propoxyphenyl]-4H-1,4-benzothiazin-3-one hydrochloride Traditional Name: 2-[3-[cyclohexyl(methyl)amino]-2-propoxy-phenyl]-4H-1,4-benzothiazin-3-one hydrochloride Formula: C24H31ClN2O2S MolecularWeight: 447.03314

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1N(C)C2CCCCC2)C3C(=O)NC4=CC=CC=C4S3.Cl

Isomeric SMILES

CCCOC1=C(C=CC=C1N(C)C2CCCCC2)C3C(=O)NC4=CC=CC=C4S3.Cl

InChI

InChI=1S/C24H30N2O2S.ClH/c1-3-16-28-22-18(23-24(27)25-19-13-7-8-15-21(19)29-23)12-9-14-20(22)26(2)17-10-5-4-6-11-17;/h7-9,12-15,17,23H,3-6,10-11,16H2,1-2H3,(H,25,27);1H