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

Systemtic Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide Openeye Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide IUPAC Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide Traditional Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butyramide Formula: C21H24N4O3S MolecularWeight: 412.50526

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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)NC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C(C)C)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c1-4-28-15-10-11-16-17(12-15)29-21(23-16)25-19(26)18(13(2)3)24-20(27)22-14-8-6-5-7-9-14/h5-13,18H,4H2,1-3H3,(H2,22,24,27)(H,23,25,26)/t18-/m0/s1