2-ethoxy-2-[5-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzotriazol-1-yl]-3-(4-octadecoxyphenyl)-3-oxidanylidene-N-phenyl-propanamide

Systemtic Name: 2-ethoxy-2-[5-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzotriazol-1-yl]-3-(4-octadecoxyphenyl)-3-oxidanylidene-N-phenyl-propanamide Openeye Name: 2-ethoxy-2-[5-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzotriazol-1-yl]-3-(4-octadecoxyphenyl)-3-oxo-N-phenyl-propanamide CAS Name: 2-ethoxy-2-[5-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-1-benzotriazolyl]-3-(4-octadecoxyphenyl)-3-oxo-N-phenylpropanamide IUPAC Name: 2-ethoxy-2-[5-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzotriazol-1-yl]-3-(4-octadecoxyphenyl)-3-oxo-N-phenylpropanamide Traditional Name: 2-ethoxy-3-keto-2-[5-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzotriazol-1-yl]-N-phenyl-3-(4-stearyloxyphenyl)propionamide Formula: C49H62N6O4S MolecularWeight: 831.11938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=CC=C2)(N3C4=C(C=C(C=C4)N=C5N(C6=CC=CC=C6S5)C)N=N3)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=CC=C2)(N3C4=C(C=C(C=C4)N=C5N(C6=CC=CC=C6S5)C)N=N3)OCC

InChI

InChI=1S/C49H62N6O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-36-58-41-33-30-38(31-34-41)46(56)49(59-5-2,47(57)50-39-26-21-20-22-27-39)55-43-35-32-40(37-42(43)52-53-55)51-48-54(3)44-28-23-24-29-45(44)60-48/h20-24,26-35,37H,4-19,25,36H2,1-3H3,(H,50,57)