2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one Openeye Name: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-(2-furylmethyl)-1,2-dihydroquinazolin-4-one CAS Name: 2-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]-3-(2-furanylmethyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one Traditional Name: 2-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-phenyl]-3-(2-furfuryl)-1,2-dihydroquinazolin-4-one Formula: C28H23N3O3S2 MolecularWeight: 513.63052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)CSC5=NC6=CC=CC=C6S5

Isomeric SMILES

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)CSC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H23N3O3S2/c1-33-24-13-12-18(15-19(24)17-35-28-30-23-10-4-5-11-25(23)36-28)26-29-22-9-3-2-8-21(22)27(32)31(26)16-20-7-6-14-34-20/h2-15,26,29H,16-17H2,1H3