4,4-bis(4-dimethylaminophenyl)-6-methyl-N-(2-methylpropyl)-3,1-benzothiazin-2-amine

Systemtic Name: 4,4-bis(4-dimethylaminophenyl)-6-methyl-N-(2-methylpropyl)-3,1-benzothiazin-2-amine Openeye Name: 4,4-bis(4-dimethylaminophenyl)-N-isobutyl-6-methyl-3,1-benzothiazin-2-amine CAS Name: 4,4-bis(4-dimethylaminophenyl)-6-methyl-N-(2-methylpropyl)-3,1-benzothiazin-2-amine IUPAC Name: 4,4-bis(4-dimethylaminophenyl)-6-methyl-N-(2-methylpropyl)-3,1-benzothiazin-2-amine Traditional Name: [4-[4-(4-dimethylaminophenyl)-2-(isobutylamino)-6-methyl-3,1-benzothiazin-4-yl]phenyl]-dimethyl-amine Formula: C29H36N4S MolecularWeight: 472.68794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(SC2(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C)NCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(SC2(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C)NCC(C)C

InChI

InChI=1S/C29H36N4S/c1-20(2)19-30-28-31-27-17-8-21(3)18-26(27)29(34-28,22-9-13-24(14-10-22)32(4)5)23-11-15-25(16-12-23)33(6)7/h8-18,20H,19H2,1-7H3,(H,30,31)