3-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-2H-1,3-benzothiazole-4-carboxylic acid

Systemtic Name: 3-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-2H-1,3-benzothiazole-4-carboxylic acid Openeye Name: 3-[benzoyl-[bis(2-chloroethyl)amino]amino]-2H-1,3-benzothiazole-4-carboxylic acid CAS Name: 3-[benzoyl-[bis(2-chloroethyl)amino]amino]-2H-1,3-benzothiazole-4-carboxylic acid IUPAC Name: 3-[benzoyl-[bis(2-chloroethyl)amino]amino]-2H-1,3-benzothiazole-4-carboxylic acid Traditional Name: 3-[benzoyl-[bis(2-chloroethyl)amino]amino]-2H-1,3-benzothiazole-4-carboxylic acid Formula: C19H19Cl2N3O3S MolecularWeight: 440.34346

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C2=C(C=CC=C2S1)C(=O)O)N(C(=O)C3=CC=CC=C3)N(CCCl)CCCl

Isomeric SMILES

C1N(C2=C(C=CC=C2S1)C(=O)O)N(C(=O)C3=CC=CC=C3)N(CCCl)CCCl

InChI

InChI=1S/C19H19Cl2N3O3S/c20-9-11-22(12-10-21)24(18(25)14-5-2-1-3-6-14)23-13-28-16-8-4-7-15(17(16)23)19(26)27/h1-8H,9-13H2,(H,26,27)