1-(4-bromanyl-3-methyl-phenyl)-3-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]urea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]urea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[(E)-(1-prop-2-ynylindol-3-yl)methyleneamino]urea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[(E)-(1-prop-2-ynyl-3-indolyl)methylideneamino]urea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]urea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[(E)-(1-propargylindol-3-yl)methyleneamino]urea Formula: C20H17BrN4O MolecularWeight: 409.27918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NN=CC2=CN(C3=CC=CC=C32)CC#C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)N/N=C/C2=CN(C3=CC=CC=C32)CC#C)Br

InChI

InChI=1S/C20H17BrN4O/c1-3-10-25-13-15(17-6-4-5-7-19(17)25)12-22-24-20(26)23-16-8-9-18(21)14(2)11-16/h1,4-9,11-13H,10H2,2H3,(H2,23,24,26)/b22-12+