N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxidanylidene-1-phenyl-ethyl]pyridine-2-carboxamide

Systemtic Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxidanylidene-1-phenyl-ethyl]pyridine-2-carboxamide Openeye Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenyl-ethyl]pyridine-2-carboxamide CAS Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenylethyl]-2-pyridinecarboxamide IUPAC Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenylethyl]pyridine-2-carboxamide Traditional Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-keto-1-phenyl-ethyl]picolinamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NCCNC2=NSC3=CC=CC=C32)NC(=O)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)NCCNC2=NSC3=CC=CC=C32)NC(=O)C4=CC=CC=N4

InChI

InChI=1S/C23H21N5O2S/c29-22(18-11-6-7-13-24-18)27-20(16-8-2-1-3-9-16)23(30)26-15-14-25-21-17-10-4-5-12-19(17)31-28-21/h1-13,20H,14-15H2,(H,25,28)(H,26,30)(H,27,29)/t20-/m0/s1