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

Systemtic Name: 1-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]hexadecan-1-one Openeye Name: 1-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]hexadecan-1-one CAS Name: 1-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]-1-hexadecanone IUPAC Name: 1-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]hexadecan-1-one Traditional Name: 1-[4,4-bis(4-dimethylaminophenyl)-6-methyl-3,1-benzothiazin-2-yl]hexadecan-1-one Formula: C41H57N3OS MolecularWeight: 639.97578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1=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

CCCCCCCCCCCCCCCC(=O)C1=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/C41H57N3OS/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39(45)40-42-38-30-21-32(2)31-37(38)41(46-40,33-22-26-35(27-23-33)43(3)4)34-24-28-36(29-25-34)44(5)6/h21-31H,7-20H2,1-6H3