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

Systemtic Name: [6-[[2-(2-hydroxyethyl)-6-methyl-phenyl]carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Openeye Name: [6-[[2-(2-hydroxyethyl)-6-methyl-phenyl]carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid CAS Name: [6-[[2-(2-hydroxyethyl)-6-methylanilino]-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid IUPAC Name: [6-[[2-(2-hydroxyethyl)-6-methylphenyl]carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Traditional Name: [6-[[2-(2-hydroxyethyl)-6-methyl-phenyl]carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-10-3-2-4-11(7-8-22)15(10)20-16(23)12-5-6-13-14(9-12)26-17(19-13)21-18(24)25/h2-6,9,22H,7-8H2,1H3,(H,19,21)(H,20,23)(H,24,25)