1-cyclohexa-1,5-dien-1-yl-1-(2-hydroxyethyl)-3-(1,9-phenanthrolin-5-yl)thiourea

Systemtic Name: 1-cyclohexa-1,5-dien-1-yl-1-(2-hydroxyethyl)-3-(1,9-phenanthrolin-5-yl)thiourea Openeye Name: 1-cyclohexa-1,5-dien-1-yl-1-(2-hydroxyethyl)-3-(1,9-phenanthrolin-5-yl)thiourea CAS Name: 1-(1-cyclohexa-1,5-dienyl)-1-(2-hydroxyethyl)-3-(1,9-phenanthrolin-5-yl)thiourea IUPAC Name: 1-cyclohexa-1,5-dien-1-yl-1-(2-hydroxyethyl)-3-(1,9-phenanthrolin-5-yl)thiourea Traditional Name: 1-cyclohexa-1,5-dien-1-yl-1-(2-hydroxyethyl)-3-(1,9-phenanthrolin-5-yl)thiourea Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)N(CCO)C(=S)NC2=C3C=CC=NC3=C4C=NC=CC4=C2

Isomeric SMILES

C1CC=C(C=C1)N(CCO)C(=S)NC2=C3C=CC=NC3=C4C=NC=CC4=C2

InChI

InChI=1S/C21H20N4OS/c26-12-11-25(16-5-2-1-3-6-16)21(27)24-19-13-15-8-10-22-14-18(15)20-17(19)7-4-9-23-20/h2,4-10,13-14,26H,1,3,11-12H2,(H,24,27)