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

Systemtic Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide Openeye Name: N-[(1S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-2-methyl-propyl]-2-methyl-benzamide CAS Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-2-methyl-propyl]-2-methyl-benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H25N3O2S/c1-14(2)20(24-21(26)16-10-6-5-9-15(16)3)22(27)25(4)13-19-23-17-11-7-8-12-18(17)28-19/h5-12,14,20H,13H2,1-4H3,(H,24,26)/t20-/m0/s1