1-(4-ethanoylphenyl)-3-(4,7-phenanthrolin-5-yl)thiourea

Systemtic Name: 1-(4-ethanoylphenyl)-3-(4,7-phenanthrolin-5-yl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-(4,7-phenanthrolin-5-yl)thiourea CAS Name: 1-(4-acetylphenyl)-3-(4,7-phenanthrolin-5-yl)thiourea IUPAC Name: 1-(4-acetylphenyl)-3-(4,7-phenanthrolin-5-yl)thiourea Traditional Name: 1-(4-acetylphenyl)-3-(4,7-phenanthrolin-5-yl)thiourea Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=C3C(=C4C=CC=NC4=C2)C=CC=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=C3C(=C4C=CC=NC4=C2)C=CC=N3

InChI

InChI=1S/C21H16N4OS/c1-13(26)14-6-8-15(9-7-14)24-21(27)25-19-12-18-16(4-2-10-22-18)17-5-3-11-23-20(17)19/h2-12H,1H3,(H2,24,25,27)