S-(methylamino) N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]carbamothioate

Systemtic Name: S-(methylamino) N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]carbamothioate Openeye Name: S-(methylamino) N-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylphenyl]carbamothioate CAS Name: N-[4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]carbamothioate Traditional Name: N-[4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]thiocarbamic acid S-(methylamino) ester Formula: C21H23ClN4OS2 MolecularWeight: 447.01652

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Descriptors Computed from Structure

Canonical SMILES:

CNSC(=O)NC1=CC=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

Isomeric SMILES

CNSC(=O)NC1=CC=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

InChI

InChI=1S/C21H23ClN4OS2/c1-23-29-21(27)25-18-7-10-19(11-8-18)28-20(14-26-13-12-24-15-26)9-4-16-2-5-17(22)6-3-16/h2-3,5-8,10-13,15,20,23H,4,9,14H2,1H3,(H,25,27)