N-[4,4-bis(4-dimethylaminophenyl)-7-(dipropylamino)-3,1-benzothiazin-2-yl]ethanamide

Systemtic Name: N-[4,4-bis(4-dimethylaminophenyl)-7-(dipropylamino)-3,1-benzothiazin-2-yl]ethanamide Openeye Name: N-[4,4-bis(4-dimethylaminophenyl)-7-(dipropylamino)-3,1-benzothiazin-2-yl]acetamide CAS Name: N-[4,4-bis(4-dimethylaminophenyl)-7-(dipropylamino)-3,1-benzothiazin-2-yl]acetamide IUPAC Name: N-[4,4-bis(4-dimethylaminophenyl)-7-(dipropylamino)-3,1-benzothiazin-2-yl]acetamide Traditional Name: N-[4,4-bis(4-dimethylaminophenyl)-7-(dipropylamino)-3,1-benzothiazin-2-yl]acetamide Formula: C32H41N5OS MolecularWeight: 543.76584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC2=C(C=C1)C(SC(=N2)NC(=O)C)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCCN(CCC)C1=CC2=C(C=C1)C(SC(=N2)NC(=O)C)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C32H41N5OS/c1-8-20-37(21-9-2)28-18-19-29-30(22-28)34-31(33-23(3)38)39-32(29,24-10-14-26(15-11-24)35(4)5)25-12-16-27(17-13-25)36(6)7/h10-19,22H,8-9,20-21H2,1-7H3,(H,33,34,38)