N-[3-(imidazol-1-ylmethyl)phenyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[3-(imidazol-1-ylmethyl)phenyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[3-(imidazol-1-ylmethyl)phenyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[3-(imidazol-1-ylmethyl)phenyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NC3=CC=CC(=C3)CN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NC3=CC=CC(=C3)CN4C=CN=C4

InChI

InChI=1S/C24H25N5O2S/c30-22(26-19-8-6-7-18(15-19)16-28-14-12-25-17-28)11-2-1-5-13-29-23(31)20-9-3-4-10-21(20)27-24(29)32/h3-4,6-10,12,14-15,17H,1-2,5,11,13,16H2,(H,26,30)(H,27,32)