(2S)-2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-N-propyl-propionamide Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CN(C)CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CN(C)CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H24N4O2S/c1-4-9-18-17(23)12(2)19-15(22)10-21(3)11-16-20-13-7-5-6-8-14(13)24-16/h5-8,12H,4,9-11H2,1-3H3,(H,18,23)(H,19,22)/t12-/m0/s1