1-benzothiophene-4-carboxylic acid; N',N'-bis(2-chloroethyl)benzohydrazide

Systemtic Name: 1-benzothiophene-4-carboxylic acid; N',N'-bis(2-chloroethyl)benzohydrazide Openeye Name: benzothiophene-4-carboxylic acid; N',N'-bis(2-chloroethyl)benzohydrazide CAS Name: 1-benzothiophene-4-carboxylic acid; N',N'-bis(2-chloroethyl)benzohydrazide IUPAC Name: 1-benzothiophene-4-carboxylic acid; N',N'-bis(2-chloroethyl)benzohydrazide Traditional Name: benzothiophene-4-carboxylic acid; N',N'-bis(2-chloroethyl)benzohydrazide Formula: C20H20Cl2N2O3S MolecularWeight: 439.3554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NN(CCCl)CCCl.C1=CC(=C2C=CSC2=C1)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NN(CCCl)CCCl.C1=CC(=C2C=CSC2=C1)C(=O)O

InChI

InChI=1S/C11H14Cl2N2O.C9H6O2S/c12-6-8-15(9-7-13)14-11(16)10-4-2-1-3-5-10;10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-5H,6-9H2,(H,14,16);1-5H,(H,10,11)