N-[4,4-bis(4-dimethylaminophenyl)-7-(diphenethylamino)-3,1-benzothiazin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[4,4-bis(4-dimethylaminophenyl)-7-(diphenethylamino)-3,1-benzothiazin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[4,4-bis(4-dimethylaminophenyl)-7-(diphenethylamino)-3,1-benzothiazin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[4,4-bis(4-dimethylaminophenyl)-7-(diphenethylamino)-3,1-benzothiazin-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[4,4-bis(4-dimethylaminophenyl)-7-(diphenethylamino)-3,1-benzothiazin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[4,4-bis(4-dimethylaminophenyl)-7-(diphenethylamino)-3,1-benzothiazin-2-yl]-2,2-dimethyl-propionamide Formula: C45H51N5OS MolecularWeight: 709.98434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC2=C(C=CC(=C2)N(CCC3=CC=CC=C3)CCC4=CC=CC=C4)C(S1)(C5=CC=C(C=C5)N(C)C)C6=CC=C(C=C6)N(C)C

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC2=C(C=CC(=C2)N(CCC3=CC=CC=C3)CCC4=CC=CC=C4)C(S1)(C5=CC=C(C=C5)N(C)C)C6=CC=C(C=C6)N(C)C

InChI

InChI=1S/C45H51N5OS/c1-44(2,3)42(51)47-43-46-41-32-39(50(30-28-33-14-10-8-11-15-33)31-29-34-16-12-9-13-17-34)26-27-40(41)45(52-43,35-18-22-37(23-19-35)48(4)5)36-20-24-38(25-21-36)49(6)7/h8-27,32H,28-31H2,1-7H3,(H,46,47,51)