N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-2-(1,3-benzothiazol-2-ylmethylamino)-1-benzyl-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-(1,3-benzothiazol-2-ylmethylamino)-1-benzyl-2-keto-ethyl]-2-furamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H19N3O3S/c26-21(23-14-20-24-16-9-4-5-11-19(16)29-20)17(13-15-7-2-1-3-8-15)25-22(27)18-10-6-12-28-18/h1-12,17H,13-14H2,(H,23,26)(H,25,27)/t17-/m0/s1