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

Systemtic Name: 1-(6-nitro-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-nitro-1,3-benzothiazol-2-yl)urea CAS Name: 1-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-(6-nitro-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-nitro-1,3-benzothiazol-2-yl)urea Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

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)[N+](=O)[O-]

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-12(2)13-6-5-7-14(10-13)20(3,4)23-18(25)22-19-21-16-9-8-15(24(26)27)11-17(16)28-19/h5-11H,1H2,2-4H3,(H2,21,22,23,25)