1-[(E)-4-(4-methoxyphenyl)-4-oxidanylidene-but-2-en-2-yl]thiourea

Systemtic Name: 1-[(E)-4-(4-methoxyphenyl)-4-oxidanylidene-but-2-en-2-yl]thiourea Openeye Name: [(E)-3-(4-methoxyphenyl)-1-methyl-3-oxo-prop-1-enyl]thiourea CAS Name: [(E)-4-(4-methoxyphenyl)-4-oxobut-2-en-2-yl]thiourea IUPAC Name: [(E)-4-(4-methoxyphenyl)-4-oxobut-2-en-2-yl]thiourea Traditional Name: [(E)-3-keto-3-(4-methoxyphenyl)-1-methyl-prop-1-enyl]thiourea Formula: C12H14N2O2S MolecularWeight: 250.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CC=C(C=C1)OC)NC(=S)N

Isomeric SMILES

C/C(=C\C(=O)C1=CC=C(C=C1)OC)/NC(=S)N

InChI

InChI=1S/C12H14N2O2S/c1-8(14-12(13)17)7-11(15)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H3,13,14,17)/b8-7+