3-(2-chloranyl-4,6-dimethyl-phenyl)-1-ethyl-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea

Systemtic Name: 3-(2-chloranyl-4,6-dimethyl-phenyl)-1-ethyl-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 3-(2-chloro-4,6-dimethyl-phenyl)-1-ethyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 3-(2-chloro-4,6-dimethyl-phenyl)-1-ethyl-1-[(4-keto-1H-quinazolin-2-yl)methyl]thiourea Formula: C20H21ClN4OS MolecularWeight: 400.92494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=C(C=C(C=C3Cl)C)C

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=C(C=C(C=C3Cl)C)C

InChI

InChI=1S/C20H21ClN4OS/c1-4-25(20(27)24-18-13(3)9-12(2)10-15(18)21)11-17-22-16-8-6-5-7-14(16)19(26)23-17/h5-10H,4,11H2,1-3H3,(H,24,27)(H,22,23,26)