(2S)-2-(aminocarbonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-pentanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-pentanamide Openeye Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-2-ureido-pentanamide CAS Name: (2S)-2-(carbamoylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylpentanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylpentanamide Traditional Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-2-ureido-valeramide Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3S/c1-4-23-10-5-6-11-13(8-10)24-16(19-11)20-14(21)12(7-9(2)3)18-15(17)22/h5-6,8-9,12H,4,7H2,1-3H3,(H3,17,18,22)(H,19,20,21)/t12-/m0/s1