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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]-3-methyl-butanoic acid CAS Name: 2-[[[4-(1,3-benzothiazol-2-yl)-2-methylanilino]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamoylamino]-3-methylbutanoic acid Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino]-3-methyl-butyric acid Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-11(2)17(19(24)25)23-20(26)22-14-9-8-13(10-12(14)3)18-21-15-6-4-5-7-16(15)27-18/h4-11,17H,1-3H3,(H,24,25)(H2,22,23,26)