(2S,3S)-2-(aminocarbonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-pentanamide Openeye Name: (2S,3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-ureido-pentanamide CAS Name: (2S,3S)-2-(carbamoylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide IUPAC Name: (2S,3S)-2-(carbamoylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide Traditional Name: (2S,3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-ureido-valeramide Formula: C16H22N4O3S MolecularWeight: 350.43588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)NC(=O)N

InChI

InChI=1S/C16H22N4O3S/c1-4-9(3)13(19-15(17)22)14(21)20-16-18-11-7-6-10(23-5-2)8-12(11)24-16/h6-9,13H,4-5H2,1-3H3,(H3,17,19,22)(H,18,20,21)/t9-,13-/m0/s1