N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2-methyl-propyl]-3,5-dimethoxy-benzamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2-methyl-propyl]-3,5-dimethoxy-benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-13(2)20(25-21(26)14-9-15(28-3)11-16(10-14)29-4)22(27)23-12-19-24-17-7-5-6-8-18(17)30-19/h5-11,13,20H,12H2,1-4H3,(H,23,27)(H,25,26)/t20-/m0/s1