benzoic acid; 5-(2-dimethylaminoethylamino)-2-methyl-1,3-benzothiazole-4,7-dione

Systemtic Name: benzoic acid; 5-(2-dimethylaminoethylamino)-2-methyl-1,3-benzothiazole-4,7-dione Openeye Name: benzoic acid; 5-(2-dimethylaminoethylamino)-2-methyl-1,3-benzothiazole-4,7-dione CAS Name: benzoic acid; 5-(2-dimethylaminoethylamino)-2-methyl-1,3-benzothiazole-4,7-dione IUPAC Name: benzoic acid; 5-(2-dimethylaminoethylamino)-2-methyl-1,3-benzothiazole-4,7-dione Traditional Name: benzoic acid; 5-(2-dimethylaminoethylamino)-2-methyl-1,3-benzothiazole-4,7-quinone Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C(=O)C=C(C2=O)NCCN(C)C.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C(=O)C=C(C2=O)NCCN(C)C.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H15N3O2S.C7H6O2/c1-7-14-10-11(17)8(13-4-5-15(2)3)6-9(16)12(10)18-7;8-7(9)6-4-2-1-3-5-6/h6,13H,4-5H2,1-3H3;1-5H,(H,8,9)