(2S)-2-(aminocarbonylamino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: (2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-ureido-propanamide CAS Name: (2S)-2-(carbamoylamino)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: (2S)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-ureido-propionamide Formula: C12H14N4O2S2 MolecularWeight: 310.39516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SC)NC(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)N=C(S2)SC)NC(=O)N

InChI

InChI=1S/C12H14N4O2S2/c1-6(14-11(13)18)10(17)15-7-3-4-8-9(5-7)20-12(16-8)19-2/h3-6H,1-2H3,(H,15,17)(H3,13,14,18)/t6-/m0/s1