4,4-bis(4-dimethylaminophenyl)-N,N-diethyl-2-methylsulfanyl-3,1-benzothiazin-7-amine

Systemtic Name: 4,4-bis(4-dimethylaminophenyl)-N,N-diethyl-2-methylsulfanyl-3,1-benzothiazin-7-amine Openeye Name: 4,4-bis(4-dimethylaminophenyl)-N,N-diethyl-2-methylsulfanyl-3,1-benzothiazin-7-amine CAS Name: 4,4-bis(4-dimethylaminophenyl)-N,N-diethyl-2-(methylthio)-3,1-benzothiazin-7-amine IUPAC Name: 4,4-bis(4-dimethylaminophenyl)-N,N-diethyl-2-methylsulfanyl-3,1-benzothiazin-7-amine Traditional Name: [4,4-bis(4-dimethylaminophenyl)-2-(methylthio)-3,1-benzothiazin-7-yl]-diethyl-amine Formula: C29H36N4S2 MolecularWeight: 504.75294

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H36N4S2/c1-8-33(9-2)25-18-19-26-27(20-25)30-28(34-7)35-29(26,21-10-14-23(15-11-21)31(3)4)22-12-16-24(17-13-22)32(5)6/h10-20H,8-9H2,1-7H3