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

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-butanamide Openeye Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide Traditional Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-ureido-butyramide Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C(C)C)NC(=O)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C(C)C)NC(=O)N

InChI

InChI=1S/C15H20N4O3S/c1-4-22-9-5-6-10-11(7-9)23-15(17-10)19-13(20)12(8(2)3)18-14(16)21/h5-8,12H,4H2,1-3H3,(H3,16,18,21)(H,17,19,20)/t12-/m0/s1