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

Systemtic Name: N-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]octanamide Openeye Name: N-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]octanamide CAS Name: N-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]octanamide IUPAC Name: N-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]octanamide Traditional Name: N-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]caprylamide Formula: C33H42N4OS MolecularWeight: 542.77778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=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

CCCCCCCC(=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/C33H42N4OS/c1-7-8-9-10-11-12-31(38)35-32-34-30-22-13-24(2)23-29(30)33(39-32,25-14-18-27(19-15-25)36(3)4)26-16-20-28(21-17-26)37(5)6/h13-23H,7-12H2,1-6H3,(H,34,35,38)