1-butyl-3-(3-chloranyl-2-methyl-phenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea

Systemtic Name: 1-butyl-3-(3-chloranyl-2-methyl-phenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-butyl-3-(3-chloro-2-methyl-phenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-butyl-3-(3-chloro-2-methylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-butyl-3-(3-chloro-2-methylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-butyl-3-(3-chloro-2-methyl-phenyl)-1-[(4-keto-1H-quinazolin-2-yl)methyl]thiourea Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=C(C(=CC=C3)Cl)C

InChI

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