N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2-methyl-propyl]-4-methoxy-benzamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2-methyl-propyl]-4-methoxy-benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-13(2)19(24-20(25)14-8-10-15(27-3)11-9-14)21(26)22-12-18-23-16-6-4-5-7-17(16)28-18/h4-11,13,19H,12H2,1-3H3,(H,22,26)(H,24,25)/t19-/m0/s1