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

Systemtic Name: 1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-(2,3-dimethylphenyl)-1-propyl-thiourea Openeye Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(2,3-dimethylphenyl)-1-propyl-thiourea CAS Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(2,3-dimethylphenyl)-1-propylthiourea IUPAC Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(2,3-dimethylphenyl)-1-propylthiourea Traditional Name: 1-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-(2,3-dimethylphenyl)-1-propyl-thiourea Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C21H23ClN4OS/c1-4-10-26(21(28)24-17-7-5-6-13(2)14(17)3)12-19-23-18-11-15(22)8-9-16(18)20(27)25-19/h5-9,11H,4,10,12H2,1-3H3,(H,24,28)(H,23,25,27)