N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]methanethioamide

Systemtic Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]methanethioamide Openeye Name: N-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylphenyl]thioformamide CAS Name: N-[4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]methanethioamide IUPAC Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]methanethioamide Traditional Name: N-[4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]thioformamide Formula: C20H20ClN3S2 MolecularWeight: 401.9759

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CN2C=CN=C2)SC3=CC=C(C=C3)NC=S)Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(CN2C=CN=C2)SC3=CC=C(C=C3)NC=S)Cl

InChI

InChI=1S/C20H20ClN3S2/c21-17-4-1-16(2-5-17)3-8-20(13-24-12-11-22-14-24)26-19-9-6-18(7-10-19)23-15-25/h1-2,4-7,9-12,14-15,20H,3,8,13H2,(H,23,25)