N-[7-(diethylamino)-4,4-bis(1-methyl-2-phenyl-indol-3-yl)-3,1-benzothiazin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[7-(diethylamino)-4,4-bis(1-methyl-2-phenyl-indol-3-yl)-3,1-benzothiazin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[7-(diethylamino)-4,4-bis(1-methyl-2-phenyl-indol-3-yl)-3,1-benzothiazin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[7-(diethylamino)-4,4-bis(1-methyl-2-phenyl-3-indolyl)-3,1-benzothiazin-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[7-(diethylamino)-4,4-bis(1-methyl-2-phenylindol-3-yl)-3,1-benzothiazin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[7-(diethylamino)-4,4-bis(1-methyl-2-phenyl-indol-3-yl)-3,1-benzothiazin-2-yl]-2,2-dimethyl-propionamide Formula: C47H47N5OS MolecularWeight: 729.97398

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(SC(=N2)NC(=O)C(C)(C)C)(C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C6=C(N(C7=CC=CC=C76)C)C8=CC=CC=C8

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(SC(=N2)NC(=O)C(C)(C)C)(C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C6=C(N(C7=CC=CC=C76)C)C8=CC=CC=C8

InChI

InChI=1S/C47H47N5OS/c1-8-52(9-2)33-28-29-36-37(30-33)48-45(49-44(53)46(3,4)5)54-47(36,40-34-24-16-18-26-38(34)50(6)42(40)31-20-12-10-13-21-31)41-35-25-17-19-27-39(35)51(7)43(41)32-22-14-11-15-23-32/h10-30H,8-9H2,1-7H3,(H,48,49,53)