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

Systemtic Name: 3-[5-(3,5-dimethylphenyl)sulfanyl-4-propan-2-yl-1-prop-2-enyl-imidazol-2-yl]propyl carbamate Openeye Name: 3-[1-allyl-5-(3,5-dimethylphenyl)sulfanyl-4-isopropyl-imidazol-2-yl]propyl carbamate CAS Name: carbamic acid 3-[5-[(3,5-dimethylphenyl)thio]-4-propan-2-yl-1-prop-2-enyl-2-imidazolyl]propyl ester IUPAC Name: 3-[5-(3,5-dimethylphenyl)sulfanyl-4-propan-2-yl-1-prop-2-enylimidazol-2-yl]propyl carbamate Traditional Name: carbamic acid 3-[1-allyl-5-[(3,5-dimethylphenyl)thio]-4-isopropyl-imidazol-2-yl]propyl ester Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(N=C(N2CC=C)CCCOC(=O)N)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(N=C(N2CC=C)CCCOC(=O)N)C(C)C)C

InChI

InChI=1S/C21H29N3O2S/c1-6-9-24-18(8-7-10-26-21(22)25)23-19(14(2)3)20(24)27-17-12-15(4)11-16(5)13-17/h6,11-14H,1,7-10H2,2-5H3,(H2,22,25)