4-(4-chlorophenyl)sulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-[1-[4-(1-imidazolyl)phenyl]ethyl]butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-[1-(4-imidazol-1-ylphenyl)ethyl]butyramide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-16(17-4-8-19(9-5-17)25-13-12-23-15-25)24-21(26)3-2-14-27-20-10-6-18(22)7-11-20/h4-13,15-16H,2-3,14H2,1H3,(H,24,26)