2-[[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]carbonylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]benzoyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]benzoyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]benzoyl]amino]-2-methyl-propionic acid Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H21N3O3S/c1-24(2,22(29)30)27-21(28)17-9-7-15(8-10-17)16-11-13-18(14-12-16)25-23-26-19-5-3-4-6-20(19)31-23/h3-14H,1-2H3,(H,25,26)(H,27,28)(H,29,30)