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

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2-methyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2-methyl-propyl]-2-furamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H19N3O3S/c1-11(2)16(21-17(22)13-7-5-9-24-13)18(23)19-10-15-20-12-6-3-4-8-14(12)25-15/h3-9,11,16H,10H2,1-2H3,(H,19,23)(H,21,22)/t16-/m0/s1