N-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]dodecanamide

Systemtic Name: N-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]dodecanamide Openeye Name: N-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]dodecanamide CAS Name: N-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]dodecanamide IUPAC Name: N-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]dodecanamide Traditional Name: N-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]lauramide Formula: C37H50N4OS MolecularWeight: 598.8841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=NC2=C(C=C(C=C2)C)C(S1)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=NC2=C(C=C(C=C2)C)C(S1)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C37H50N4OS/c1-7-8-9-10-11-12-13-14-15-16-35(42)39-36-38-34-26-17-28(2)27-33(34)37(43-36,29-18-22-31(23-19-29)40(3)4)30-20-24-32(25-21-30)41(5)6/h17-27H,7-16H2,1-6H3,(H,38,39,42)