4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-methylsulfanylphenyl)butanamide

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-methylsulfanylphenyl)butanamide Openeye Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-methylsulfanylphenyl)butanamide CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-[4-(methylthio)phenyl]butanamide IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-methylsulfanylphenyl)butanamide Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-[4-(methylthio)phenyl]butyramide Formula: C21H26Cl2N2OS MolecularWeight: 425.41494

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl

InChI

InChI=1S/C21H26Cl2N2OS/c1-27-20-11-7-18(8-12-20)24-21(26)4-2-3-17-5-9-19(10-6-17)25(15-13-22)16-14-23/h5-12H,2-4,13-16H2,1H3,(H,24,26)