methanamine; S-methyl 4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxybenzenecarbothioate

Systemtic Name: methanamine; S-methyl 4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxybenzenecarbothioate Openeye Name: methanamine; S-methyl 4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]benzenecarbothioate CAS Name: 4-[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]oxybenzenecarbothioic acid S-methyl ester; methanamine IUPAC Name: methanamine; S-methyl 4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxybenzenecarbothioate Traditional Name: 4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]thiobenzoic acid S-methyl ester; methylamine Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CN.CSC(=O)C1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

Isomeric SMILES

CN.CSC(=O)C1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

InChI

InChI=1S/C21H21ClN2O2S.CH5N/c1-27-21(25)17-5-10-19(11-6-17)26-20(14-24-13-12-23-15-24)9-4-16-2-7-18(22)8-3-16;1-2/h2-3,5-8,10-13,15,20H,4,9,14H2,1H3;2H2,1H3