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

Systemtic Name: S-(hexylamino) N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]carbamothioate Openeye Name: S-(hexylamino) 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-(hexylamino) ester IUPAC Name: S-(hexylamino) 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-(hexylamino) ester Formula: C26H33ClN4O2S MolecularWeight: 501.08382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNSC(=O)NC1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

Isomeric SMILES

CCCCCCNSC(=O)NC1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

InChI

InChI=1S/C26H33ClN4O2S/c1-2-3-4-5-16-29-34-26(32)30-23-11-14-24(15-12-23)33-25(19-31-18-17-28-20-31)13-8-21-6-9-22(27)10-7-21/h6-7,9-12,14-15,17-18,20,25,29H,2-5,8,13,16,19H2,1H3,(H,30,32)