N-[(2,4-dichlorophenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(2,4-dichlorobenzyl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C21H21Cl2N3O2S MolecularWeight: 450.38134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O2S/c22-15-10-9-14(17(23)12-15)13-24-19(27)8-2-1-5-11-26-20(28)16-6-3-4-7-18(16)25-21(26)29/h3-4,6-7,9-10,12H,1-2,5,8,11,13H2,(H,24,27)(H,25,29)