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

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

Systemtic Name:2-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-1,3-thiazole-4-carboxylic acid
Openeye Name:2-[benzoyl-[bis(2-chloroethyl)amino]amino]thiazole-4-carboxylic acid
CAS Name:2-[benzoyl-[bis(2-chloroethyl)amino]amino]-4-thiazolecarboxylic acid
IUPAC Name:2-[benzoyl-[bis(2-chloroethyl)amino]amino]-1,3-thiazole-4-carboxylic acid
Traditional Name:2-[benzoyl-[bis(2-chloroethyl)amino]amino]thiazole-4-carboxylic acid
Formula: C15H15Cl2N3O3S
MolecularWeight: 388.2689
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(C2=NC(=CS2)C(=O)O)N(CCCl)CCCl


Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(C2=NC(=CS2)C(=O)O)N(CCCl)CCCl


InChI

InChI=1S/C15H15Cl2N3O3S/c16-6-8-19(9-7-17)20(13(21)11-4-2-1-3-5-11)15-18-12(10-24-15)14(22)23/h1-5,10H,6-9H2,(H,22,23)


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