3-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]-1,1-dimethyl-urea

Systemtic Name: 3-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]-1,1-dimethyl-urea Openeye Name: 3-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]-1,1-dimethyl-urea CAS Name: 3-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]-1,1-dimethylurea IUPAC Name: 3-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]-1,1-dimethylurea Traditional Name: 3-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]-1,1-dimethyl-urea Formula: C31H40N6OS MolecularWeight: 544.7539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N6OS/c1-9-37(10-2)26-19-20-27-28(21-26)32-29(33-30(38)36(7)8)39-31(27,22-11-15-24(16-12-22)34(3)4)23-13-17-25(18-14-23)35(5)6/h11-21H,9-10H2,1-8H3,(H,32,33,38)