2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-(1,3-benzothiazol-2-yl)-2-methylanilino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]-3-phenyl-propionic acid Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H21N3O3S/c1-15-13-17(22-25-19-9-5-6-10-21(19)31-22)11-12-18(15)26-24(30)27-20(23(28)29)14-16-7-3-2-4-8-16/h2-13,20H,14H2,1H3,(H,28,29)(H2,26,27,30)