7-[3-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propoxy]-4H-1,4-benzothiazin-3-one

Systemtic Name: 7-[3-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propoxy]-4H-1,4-benzothiazin-3-one Openeye Name: 7-[3-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propoxy]-4H-1,4-benzothiazin-3-one CAS Name: 7-[3-[4-[(1-methyl-2-benzimidazolyl)methyl]-1,4-diazepan-1-yl]propoxy]-4H-1,4-benzothiazin-3-one IUPAC Name: 7-[3-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propoxy]-4H-1,4-benzothiazin-3-one Traditional Name: 7-[3-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propoxy]-4H-1,4-benzothiazin-3-one Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CN3CCCN(CC3)CCCOC4=CC5=C(C=C4)NC(=O)CS5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CN3CCCN(CC3)CCCOC4=CC5=C(C=C4)NC(=O)CS5

InChI

InChI=1S/C25H31N5O2S/c1-28-22-7-3-2-6-20(22)26-24(28)17-30-11-4-10-29(13-14-30)12-5-15-32-19-8-9-21-23(16-19)33-18-25(31)27-21/h2-3,6-9,16H,4-5,10-15,17-18H2,1H3,(H,27,31)