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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-3-4-13-26(22(29)23-14-16-9-11-17(28-2)12-10-16)15-20-24-19-8-6-5-7-18(19)21(27)25-20/h5-12H,3-4,13-15H2,1-2H3,(H,23,29)(H,24,25,27)