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

Systemtic Name: N-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-oxo-2-(3-phenylpropylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-oxo-2-(3-phenylpropylamino)ethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-oxo-2-(3-phenylpropylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-keto-2-(3-phenylpropylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O2S/c28-21(24-12-6-9-17-7-2-1-3-8-17)16-25-22(29)18-10-11-19-20(15-18)30-23(26-19)27-13-4-5-14-27/h1-5,7-8,10-11,13-15H,6,9,12,16H2,(H,24,28)(H,25,29)