1-(4-bromanyl-2,6-dimethyl-phenyl)-3-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]thiourea

Systemtic Name: 1-(4-bromanyl-2,6-dimethyl-phenyl)-3-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]thiourea Openeye Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]thiourea CAS Name: 1-(4-bromo-2,6-dimethylphenyl)-3-[[3-(2,4-dimethoxy-5-pyrimidinyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(4-bromo-2,6-dimethylphenyl)-3-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]thiourea Traditional Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3-[[3-(2,4-dimethoxypyrimidin-5-yl)acryloyl]amino]thiourea Formula: C18H20BrN5O3S MolecularWeight: 466.3521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NNC(=O)C=CC2=CN=C(N=C2OC)OC)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NNC(=O)C=CC2=CN=C(N=C2OC)OC)C)Br

InChI

InChI=1S/C18H20BrN5O3S/c1-10-7-13(19)8-11(2)15(10)21-18(28)24-23-14(25)6-5-12-9-20-17(27-4)22-16(12)26-3/h5-9H,1-4H3,(H,23,25)(H2,21,24,28)