1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-(3,5-dimethylphenyl)-1-ethyl-thiourea

Systemtic Name: 1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-(3,5-dimethylphenyl)-1-ethyl-thiourea Openeye Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(3,5-dimethylphenyl)-1-ethyl-thiourea CAS Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(3,5-dimethylphenyl)-1-ethylthiourea IUPAC Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(3,5-dimethylphenyl)-1-ethylthiourea Traditional Name: 1-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-(3,5-dimethylphenyl)-1-ethyl-thiourea Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NC3=CC(=CC(=C3)C)C

InChI

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