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

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one Openeye Name: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-benzyl-1,2-dihydroquinazolin-4-one CAS Name: 2-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-benzyl-1,2-dihydroquinazolin-4-one Traditional Name: 2-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-phenyl]-3-benzyl-1,2-dihydroquinazolin-4-one Formula: C30H25N3O2S2 MolecularWeight: 523.6684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CSC5=NC6=CC=CC=C6S5

Isomeric SMILES

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CSC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C30H25N3O2S2/c1-35-26-16-15-21(17-22(26)19-36-30-32-25-13-7-8-14-27(25)37-30)28-31-24-12-6-5-11-23(24)29(34)33(28)18-20-9-3-2-4-10-20/h2-17,28,31H,18-19H2,1H3