N-[3-(1,3-benzothiazol-2-yl)-5-oxidanyl-1-phenyl-4-(phenylcarbonyl)pyrrol-2-yl]benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-5-oxidanyl-1-phenyl-4-(phenylcarbonyl)pyrrol-2-yl]benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4-benzoyl-5-hydroxy-1-phenyl-pyrrol-2-yl]benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4-benzoyl-5-hydroxy-1-phenyl-2-pyrrolyl]benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4-benzoyl-5-hydroxy-1-phenylpyrrol-2-yl]benzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-benzoyl-5-hydroxy-1-phenyl-pyrrol-2-yl]benzamide Formula: C31H21N3O3S MolecularWeight: 515.58174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(N(C(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(N(C(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C31H21N3O3S/c35-27(20-12-4-1-5-13-20)25-26(30-32-23-18-10-11-19-24(23)38-30)28(33-29(36)21-14-6-2-7-15-21)34(31(25)37)22-16-8-3-9-17-22/h1-19,37H,(H,33,36)