5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzenecarbothioamide

Systemtic Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzenecarbothioamide Openeye Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzenecarbothioamide CAS Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitrobenzenecarbothioamide IUPAC Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitrobenzenecarbothioamide Traditional Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitro-thiobenzamide Formula: C11H12Cl2N4O4S MolecularWeight: 367.20838

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=S)N

Isomeric SMILES

C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=S)N

InChI

InChI=1S/C11H12Cl2N4O4S/c12-1-3-15(4-2-13)9-5-7(11(14)22)8(16(18)19)6-10(9)17(20)21/h5-6H,1-4H2,(H2,14,22)