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

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-methyl-butanamide Openeye Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylbutanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylbutanamide Traditional Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-2-ureido-butyramide Formula: C13H15ClN4O2S MolecularWeight: 326.8018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN4O2S/c1-6(2)10(17-12(15)20)11(19)18-13-16-8-4-3-7(14)5-9(8)21-13/h3-6,10H,1-2H3,(H3,15,17,20)(H,16,18,19)/t10-/m0/s1