7-(azepan-1-ylcarbonyl)-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(azepan-1-ylcarbonyl)-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(azepane-1-carbonyl)-3-(2-furylmethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[1-azepanyl(oxo)methyl]-3-(2-furanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(azepane-1-carbonyl)-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(azepane-1-carbonyl)-3-(2-furfuryl)-2-thioxo-1H-quinazolin-4-one Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4

InChI

InChI=1S/C20H21N3O3S/c24-18(22-9-3-1-2-4-10-22)14-7-8-16-17(12-14)21-20(27)23(19(16)25)13-15-6-5-11-26-15/h5-8,11-12H,1-4,9-10,13H2,(H,21,27)