N-cycloheptyl-2-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]ethanamide

Systemtic Name: N-cycloheptyl-2-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]ethanamide Openeye Name: N-cycloheptyl-2-[4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]acetamide CAS Name: N-cycloheptyl-2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]acetamide IUPAC Name: N-cycloheptyl-2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]acetamide Traditional Name: N-cycloheptyl-2-[4-(4-keto-2-thioxo-1H-quinazolin-3-yl)phenyl]acetamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCCC(CC1)NC(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H25N3O2S/c27-21(24-17-7-3-1-2-4-8-17)15-16-11-13-18(14-12-16)26-22(28)19-9-5-6-10-20(19)25-23(26)29/h5-6,9-14,17H,1-4,7-8,15H2,(H,24,27)(H,25,29)