3-[5-(3,5-dimethylphenyl)sulfanyl-1-(phenylmethyl)-4-propan-2-yl-imidazol-2-yl]propyl carbamate

Systemtic Name: 3-[5-(3,5-dimethylphenyl)sulfanyl-1-(phenylmethyl)-4-propan-2-yl-imidazol-2-yl]propyl carbamate Openeye Name: 3-[1-benzyl-5-(3,5-dimethylphenyl)sulfanyl-4-isopropyl-imidazol-2-yl]propyl carbamate CAS Name: carbamic acid 3-[5-[(3,5-dimethylphenyl)thio]-1-(phenylmethyl)-4-propan-2-yl-2-imidazolyl]propyl ester IUPAC Name: 3-[1-benzyl-5-(3,5-dimethylphenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]propyl carbamate Traditional Name: carbamic acid 3-[1-benzyl-5-[(3,5-dimethylphenyl)thio]-4-isopropyl-imidazol-2-yl]propyl ester Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(N=C(N2CC3=CC=CC=C3)CCCOC(=O)N)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(N=C(N2CC3=CC=CC=C3)CCCOC(=O)N)C(C)C)C

InChI

InChI=1S/C25H31N3O2S/c1-17(2)23-24(31-21-14-18(3)13-19(4)15-21)28(16-20-9-6-5-7-10-20)22(27-23)11-8-12-30-25(26)29/h5-7,9-10,13-15,17H,8,11-12,16H2,1-4H3,(H2,26,29)