N-(2-azanyl-2-oxidanylidene-ethyl)-3-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-3-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-3-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]benzamide CAS Name: N-(2-amino-2-oxoethyl)-3-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-oxobutyl]amino]benzamide IUPAC Name: N-(2-amino-2-oxoethyl)-3-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanoyl]amino]benzamide Traditional Name: N-(2-amino-2-keto-ethyl)-3-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]benzamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NC3=CC=CC(=C3)C(=O)NCC(=O)N

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NC3=CC=CC(=C3)C(=O)NCC(=O)N

InChI

InChI=1S/C23H26N4O3S/c1-3-23(4-2,13-20-27-17-10-5-6-11-18(17)31-20)22(30)26-16-9-7-8-15(12-16)21(29)25-14-19(24)28/h5-12H,3-4,13-14H2,1-2H3,(H2,24,28)(H,25,29)(H,26,30)