2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbonimidoyl]-5-phenyl-4H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbonimidoyl]-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbonimidoyl]-5-phenyl-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-[2-(2-methyl-1H-indol-3-yl)ethylimino]propyl]-5-phenyl-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbonimidoyl]-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbonimidoyl]-5-phenyl-2-pyrazolin-3-one Formula: C30H27N5OS MolecularWeight: 505.63328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NCCC1=C(NC2=CC=CC=C21)C)C3C(=NN(C3=O)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6

Isomeric SMILES

CCC(=NCCC1=C(NC2=CC=CC=C21)C)C3C(=NN(C3=O)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6

InChI

InChI=1S/C30H27N5OS/c1-3-23(31-18-17-21-19(2)32-24-14-8-7-13-22(21)24)27-28(20-11-5-4-6-12-20)34-35(29(27)36)30-33-25-15-9-10-16-26(25)37-30/h4-16,27,32H,3,17-18H2,1-2H3