3-(4-ethylphenyl)-1-(2-methoxyethyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea

Systemtic Name: 3-(4-ethylphenyl)-1-(2-methoxyethyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 3-(4-ethylphenyl)-1-(2-methoxyethyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 3-(4-ethylphenyl)-1-(2-methoxyethyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 3-(4-ethylphenyl)-1-(2-methoxyethyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 3-(4-ethylphenyl)-1-[(4-keto-1H-quinazolin-2-yl)methyl]-1-(2-methoxyethyl)thiourea Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CCOC)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CCOC)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H24N4O2S/c1-3-15-8-10-16(11-9-15)22-21(28)25(12-13-27-2)14-19-23-18-7-5-4-6-17(18)20(26)24-19/h4-11H,3,12-14H2,1-2H3,(H,22,28)(H,23,24,26)