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

Systemtic Name: 4,4-bis(4-dimethylaminophenyl)-N7,N7-diethyl-N2-(4-nitrophenyl)-3,1-benzothiazine-2,7-diamine Openeye Name: 4,4-bis(4-dimethylaminophenyl)-N7,N7-diethyl-N2-(4-nitrophenyl)-3,1-benzothiazine-2,7-diamine CAS Name: 4,4-bis(4-dimethylaminophenyl)-N7,N7-diethyl-N2-(4-nitrophenyl)-3,1-benzothiazine-2,7-diamine IUPAC Name: 4,4-bis(4-dimethylaminophenyl)-7-N,7-N-diethyl-2-N-(4-nitrophenyl)-3,1-benzothiazine-2,7-diamine Traditional Name: [4,4-bis(4-dimethylaminophenyl)-2-(4-nitroanilino)-3,1-benzothiazin-7-yl]-diethyl-amine Formula: C34H38N6O2S MolecularWeight: 594.76952

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(SC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(SC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C34H38N6O2S/c1-7-39(8-2)30-21-22-31-32(23-30)36-33(35-26-13-19-29(20-14-26)40(41)42)43-34(31,24-9-15-27(16-10-24)37(3)4)25-11-17-28(18-12-25)38(5)6/h9-23H,7-8H2,1-6H3,(H,35,36)