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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-3-14(2)19(24-20(25)15-9-5-4-6-10-15)21(26)22-13-18-23-16-11-7-8-12-17(16)27-18/h4-12,14,19H,3,13H2,1-2H3,(H,22,26)(H,24,25)/t14-,19-/m0/s1