N-[2-oxidanylidene-2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-[(2-hydroxy-2-phenyl-ethyl)amino]-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-[(2-hydroxy-2-phenyl-ethyl)amino]-2-keto-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)O

InChI

InChI=1S/C22H20N4O3S/c27-18(15-6-2-1-3-7-15)13-23-20(28)14-24-21(29)16-8-9-17-19(12-16)30-22(25-17)26-10-4-5-11-26/h1-12,18,27H,13-14H2,(H,23,28)(H,24,29)