1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea CAS Name: 1-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-3-(6-mesyl-1,3-benzothiazol-2-yl)urea Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23N3O3S2/c1-13(2)14-7-6-8-15(11-14)21(3,4)24-19(25)23-20-22-17-10-9-16(29(5,26)27)12-18(17)28-20/h6-12H,1H2,2-5H3,(H2,22,23,24,25)