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

Systemtic Name: S-azanyl N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]carbamothioate Openeye Name: S-amino 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-amino ester IUPAC Name: S-amino 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-amino ester Formula: C20H21ClN4OS2 MolecularWeight: 432.98994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4OS2/c21-16-4-1-15(2-5-16)3-8-19(13-25-12-11-23-14-25)27-18-9-6-17(7-10-18)24-20(26)28-22/h1-2,4-7,9-12,14,19H,3,8,13,22H2,(H,24,26)