1-butyl-3-[(4,6-diphenylpyrimidin-2-yl)carbonylamino]thiourea

Systemtic Name: 1-butyl-3-[(4,6-diphenylpyrimidin-2-yl)carbonylamino]thiourea Openeye Name: 1-butyl-3-[(4,6-diphenylpyrimidine-2-carbonyl)amino]thiourea CAS Name: 1-butyl-3-[[(4,6-diphenyl-2-pyrimidinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-butyl-3-[(4,6-diphenylpyrimidine-2-carbonyl)amino]thiourea Traditional Name: 1-butyl-3-[(4,6-diphenylpyrimidine-2-carbonyl)amino]thiourea Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)C1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=S)NNC(=O)C1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5OS/c1-2-3-14-23-22(29)27-26-21(28)20-24-18(16-10-6-4-7-11-16)15-19(25-20)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H,26,28)(H2,23,27,29)