1-(4,7-phenanthrolin-5-yl)-3-(2,4,4-trimethylpentan-2-yl)thiourea

Systemtic Name: 1-(4,7-phenanthrolin-5-yl)-3-(2,4,4-trimethylpentan-2-yl)thiourea Openeye Name: 1-(4,7-phenanthrolin-5-yl)-3-(1,1,3,3-tetramethylbutyl)thiourea CAS Name: 1-(4,7-phenanthrolin-5-yl)-3-(2,4,4-trimethylpentan-2-yl)thiourea IUPAC Name: 1-(4,7-phenanthrolin-5-yl)-3-(2,4,4-trimethylpentan-2-yl)thiourea Traditional Name: 1-(4,7-phenanthrolin-5-yl)-3-(1,1,3,3-tetramethylbutyl)thiourea Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=S)NC1=C2C(=C3C=CC=NC3=C1)C=CC=N2

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=S)NC1=C2C(=C3C=CC=NC3=C1)C=CC=N2

InChI

InChI=1S/C21H26N4S/c1-20(2,3)13-21(4,5)25-19(26)24-17-12-16-14(8-6-10-22-16)15-9-7-11-23-18(15)17/h6-12H,13H2,1-5H3,(H2,24,25,26)