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

Systemtic Name: N2-(4-chlorophenyl)-4,4-bis(4-dimethylaminophenyl)-N7,N7-diethyl-3,1-benzothiazine-2,7-diamine Openeye Name: N2-(4-chlorophenyl)-4,4-bis(4-dimethylaminophenyl)-N7,N7-diethyl-3,1-benzothiazine-2,7-diamine CAS Name: N2-(4-chlorophenyl)-4,4-bis(4-dimethylaminophenyl)-N7,N7-diethyl-3,1-benzothiazine-2,7-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4,4-bis(4-dimethylaminophenyl)-7-N,7-N-diethyl-3,1-benzothiazine-2,7-diamine Traditional Name: [2-(4-chloroanilino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-7-yl]-diethyl-amine Formula: C34H38ClN5S MolecularWeight: 584.21702

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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)Cl)(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)Cl)(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C34H38ClN5S/c1-7-40(8-2)30-21-22-31-32(23-30)37-33(36-27-15-13-26(35)14-16-27)41-34(31,24-9-17-28(18-10-24)38(3)4)25-11-19-29(20-12-25)39(5)6/h9-23H,7-8H2,1-6H3,(H,36,37)