4,4-bis(4-dimethylaminophenyl)-N7,N7-diethyl-N2-(2-methylpropyl)-3,1-benzothiazine-2,7-diamine

Systemtic Name: 4,4-bis(4-dimethylaminophenyl)-N7,N7-diethyl-N2-(2-methylpropyl)-3,1-benzothiazine-2,7-diamine Openeye Name: 4,4-bis(4-dimethylaminophenyl)-N7,N7-diethyl-N2-isobutyl-3,1-benzothiazine-2,7-diamine CAS Name: 4,4-bis(4-dimethylaminophenyl)-N7,N7-diethyl-N2-(2-methylpropyl)-3,1-benzothiazine-2,7-diamine IUPAC Name: 4,4-bis(4-dimethylaminophenyl)-7-N,7-N-diethyl-2-N-(2-methylpropyl)-3,1-benzothiazine-2,7-diamine Traditional Name: [4,4-bis(4-dimethylaminophenyl)-2-(isobutylamino)-3,1-benzothiazin-7-yl]-diethyl-amine Formula: C32H43N5S MolecularWeight: 529.78232

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(SC(=N2)NCC(C)C)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(SC(=N2)NCC(C)C)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C32H43N5S/c1-9-37(10-2)28-19-20-29-30(21-28)34-31(33-22-23(3)4)38-32(29,24-11-15-26(16-12-24)35(5)6)25-13-17-27(18-14-25)36(7)8/h11-21,23H,9-10,22H2,1-8H3,(H,33,34)