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

Systemtic Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxidanylidene-1-phenyl-ethyl]furan-3-carboxamide Openeye Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenyl-ethyl]furan-3-carboxamide CAS Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenylethyl]-3-furancarboxamide IUPAC Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenylethyl]furan-3-carboxamide Traditional Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-keto-1-phenyl-ethyl]-3-furamide Formula: C22H20N4O3S MolecularWeight: 420.4842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c27-21(16-10-13-29-14-16)25-19(15-6-2-1-3-7-15)22(28)24-12-11-23-20-17-8-4-5-9-18(17)30-26-20/h1-10,13-14,19H,11-12H2,(H,23,26)(H,24,28)(H,25,27)/t19-/m0/s1