N-[4-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylphenyl]methanamide

Systemtic Name: N-[4-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylphenyl]methanamide Openeye Name: N-[4-[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]sulfanylphenyl]formamide CAS Name: N-[4-[[1-(1-imidazolyl)-4-(4-methoxyphenyl)butan-2-yl]thio]phenyl]formamide IUPAC Name: N-[4-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylphenyl]formamide Traditional Name: N-[4-[[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]thio]phenyl]formamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)NC=O

Isomeric SMILES

COC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)NC=O

InChI

InChI=1S/C21H23N3O2S/c1-26-19-7-2-17(3-8-19)4-9-21(14-24-13-12-22-15-24)27-20-10-5-18(6-11-20)23-16-25/h2-3,5-8,10-13,15-16,21H,4,9,14H2,1H3,(H,23,25)