4-methyl-2-[4-[3-[(1-methylcyclohexyl)amino]propoxy]phenyl]-3-oxidanylidene-1,4-benzothiazine-2-carbonitrile

Systemtic Name: 4-methyl-2-[4-[3-[(1-methylcyclohexyl)amino]propoxy]phenyl]-3-oxidanylidene-1,4-benzothiazine-2-carbonitrile Openeye Name: 4-methyl-2-[4-[3-[(1-methylcyclohexyl)amino]propoxy]phenyl]-3-oxo-1,4-benzothiazine-2-carbonitrile CAS Name: 4-methyl-2-[4-[3-[(1-methylcyclohexyl)amino]propoxy]phenyl]-3-oxo-1,4-benzothiazine-2-carbonitrile IUPAC Name: 4-methyl-2-[4-[3-[(1-methylcyclohexyl)amino]propoxy]phenyl]-3-oxo-1,4-benzothiazine-2-carbonitrile Traditional Name: 3-keto-4-methyl-2-[4-[3-[(1-methylcyclohexyl)amino]propoxy]phenyl]-1,4-benzothiazine-2-carbonitrile Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)NCCCOC2=CC=C(C=C2)C3(C(=O)N(C4=CC=CC=C4S3)C)C#N

Isomeric SMILES

CC1(CCCCC1)NCCCOC2=CC=C(C=C2)C3(C(=O)N(C4=CC=CC=C4S3)C)C#N

InChI

InChI=1S/C26H31N3O2S/c1-25(15-6-3-7-16-25)28-17-8-18-31-21-13-11-20(12-14-21)26(19-27)24(30)29(2)22-9-4-5-10-23(22)32-26/h4-5,9-14,28H,3,6-8,15-18H2,1-2H3