S-phenylazanyl N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]carbamothioate

Systemtic Name: S-phenylazanyl N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]carbamothioate Openeye Name: S-anilino N-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]carbamothioate CAS Name: N-[4-[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]oxyphenyl]carbamothioic acid S-anilino ester IUPAC Name: S-anilino N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]carbamothioate Traditional Name: N-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]thiocarbamic acid S-anilino ester Formula: C26H25ClN4O2S MolecularWeight: 493.0203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NSC(=O)NC2=CC=C(C=C2)OC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)NSC(=O)NC2=CC=C(C=C2)OC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

InChI

InChI=1S/C26H25ClN4O2S/c27-21-9-6-20(7-10-21)8-13-25(18-31-17-16-28-19-31)33-24-14-11-22(12-15-24)29-26(32)34-30-23-4-2-1-3-5-23/h1-7,9-12,14-17,19,25,30H,8,13,18H2,(H,29,32)