[6-[(2,6-dimethyl-3-propan-2-yl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid

Systemtic Name: [6-[(2,6-dimethyl-3-propan-2-yl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Openeye Name: [6-[(3-isopropyl-2,6-dimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid CAS Name: [6-[(2,6-dimethyl-3-propan-2-ylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid IUPAC Name: [6-[(2,6-dimethyl-3-propan-2-ylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Traditional Name: [6-[(3-isopropyl-2,6-dimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)C)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)C)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)O

InChI

InChI=1S/C20H21N3O3S/c1-10(2)14-7-5-11(3)17(12(14)4)22-18(24)13-6-8-15-16(9-13)27-19(21-15)23-20(25)26/h5-10H,1-4H3,(H,21,23)(H,22,24)(H,25,26)