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

Systemtic Name: 1-(2-dimethylaminoethyl)-3-(4-ethylphenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-(2-dimethylaminoethyl)-3-(4-ethylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-(2-dimethylaminoethyl)-3-(4-ethylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-(2-dimethylaminoethyl)-3-(4-ethylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-(2-dimethylaminoethyl)-3-(4-ethylphenyl)-1-[(4-keto-1H-quinazolin-2-yl)methyl]thiourea Formula: C22H27N5OS MolecularWeight: 409.54768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5OS/c1-4-16-9-11-17(12-10-16)23-22(29)27(14-13-26(2)3)15-20-24-19-8-6-5-7-18(19)21(28)25-20/h5-12H,4,13-15H2,1-3H3,(H,23,29)(H,24,25,28)