2-[bis(2-chloroethyl)aminomethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C12H14Cl2N2O3S MolecularWeight: 337.22216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CN(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CN(CCCl)CCCl

InChI

InChI=1S/C12H14Cl2N2O3S/c13-5-7-15(8-6-14)9-16-12(17)10-3-1-2-4-11(10)20(16,18)19/h1-4H,5-9H2