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

Systemtic Name: N-[2-oxidanylidene-2-(phenethylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-oxo-2-(phenethylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-oxo-2-(phenethylamino)ethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-oxo-2-(phenethylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-keto-2-(phenethylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S/c27-20(23-11-10-16-6-2-1-3-7-16)15-24-21(28)17-8-9-18-19(14-17)29-22(25-18)26-12-4-5-13-26/h1-9,12-14H,10-11,15H2,(H,23,27)(H,24,28)