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

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-methyl-pentanamide Openeye Name: (2S,3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-2-ureido-pentanamide CAS Name: (2S,3S)-2-(carbamoylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylpentanamide IUPAC Name: (2S,3S)-2-(carbamoylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylpentanamide Traditional Name: (2S,3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-2-ureido-valeramide Formula: C14H17ClN4O2S MolecularWeight: 340.82838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN4O2S/c1-3-7(2)11(18-13(16)21)12(20)19-14-17-9-5-4-8(15)6-10(9)22-14/h4-7,11H,3H2,1-2H3,(H3,16,18,21)(H,17,19,20)/t7-,11-/m0/s1