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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-4-(methylthio)butyric acid Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19N3O3S2/c1-26-11-10-15(18(23)24)22-19(25)20-13-8-6-12(7-9-13)17-21-14-4-2-3-5-16(14)27-17/h2-9,15H,10-11H2,1H3,(H,23,24)(H2,20,22,25)