1-butyl-3-(4-ethoxyphenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea

Systemtic Name: 1-butyl-3-(4-ethoxyphenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-butyl-3-(4-ethoxyphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-butyl-3-(4-ethoxyphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-butyl-3-(4-ethoxyphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-butyl-1-[(4-keto-1H-quinazolin-2-yl)methyl]-3-p-phenetyl-thiourea Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H26N4O2S/c1-3-5-14-26(22(29)23-16-10-12-17(13-11-16)28-4-2)15-20-24-19-9-7-6-8-18(19)21(27)25-20/h6-13H,3-5,14-15H2,1-2H3,(H,23,29)(H,24,25,27)