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

Systemtic Name: S-(ethylamino) N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]carbamothioate Openeye Name: S-(ethylamino) 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-(ethylamino) ester IUPAC Name: S-(ethylamino) 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-(ethylamino) ester Formula: C22H25ClN4OS2 MolecularWeight: 461.0431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4OS2/c1-2-25-30-22(28)26-19-8-11-20(12-9-19)29-21(15-27-14-13-24-16-27)10-5-17-3-6-18(23)7-4-17/h3-4,6-9,11-14,16,21,25H,2,5,10,15H2,1H3,(H,26,28)