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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-phenyl-propionic acid Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H19N3O3S/c27-22(28)19(14-15-6-2-1-3-7-15)26-23(29)24-17-12-10-16(11-13-17)21-25-18-8-4-5-9-20(18)30-21/h1-13,19H,14H2,(H,27,28)(H2,24,26,29)