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

Systemtic Name: N-[4-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylphenyl]methanamide Openeye Name: N-[4-[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]sulfanylphenyl]formamide CAS Name: N-[4-[[1-(1-imidazolyl)-4-(4-methylphenyl)butan-2-yl]thio]phenyl]formamide IUPAC Name: N-[4-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylphenyl]formamide Traditional Name: N-[4-[[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]thio]phenyl]formamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)NC=O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)NC=O

InChI

InChI=1S/C21H23N3OS/c1-17-2-4-18(5-3-17)6-9-21(14-24-13-12-22-15-24)26-20-10-7-19(8-11-20)23-16-25/h2-5,7-8,10-13,15-16,21H,6,9,14H2,1H3,(H,23,25)