1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(1-methylimidazol-2-yl)-phenyl-methyl]urea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(1-methylimidazol-2-yl)-phenyl-methyl]urea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(1-methylimidazol-2-yl)-phenyl-methyl]urea CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-[(1-methyl-2-imidazolyl)-phenylmethyl]urea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(1-methylimidazol-2-yl)-phenylmethyl]urea Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-[(1-methylimidazol-2-yl)-phenyl-methyl]urea Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-25-13-11-22-19(25)18(15-5-3-2-4-6-15)24-20(26)23-12-14-27-17-9-7-16(21)8-10-17/h2-11,13,18H,12,14H2,1H3,(H2,23,24,26)