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

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2-methyl-propyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2-methyl-propyl]-3-methyl-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S/c1-13(2)19(24-20(25)15-8-6-7-14(3)11-15)21(26)22-12-18-23-16-9-4-5-10-17(16)27-18/h4-11,13,19H,12H2,1-3H3,(H,22,26)(H,24,25)/t19-/m0/s1