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

Systemtic Name: 3-(4-ethoxyphenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(4-ethoxyphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 3-(4-ethoxyphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(4-ethoxyphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-benzyl-1-[(4-keto-1H-quinazolin-2-yl)methyl]-3-p-phenetyl-thiourea Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H24N4O2S/c1-2-31-20-14-12-19(13-15-20)26-25(32)29(16-18-8-4-3-5-9-18)17-23-27-22-11-7-6-10-21(22)24(30)28-23/h3-15H,2,16-17H2,1H3,(H,26,32)(H,27,28,30)