3-(2-methoxyphenyl)-2-[(5-pyrrolidin-1-ylcarbonyl-1,3-benzothiazol-2-yl)sulfanylmethyl]quinazolin-4-one

Systemtic Name: 3-(2-methoxyphenyl)-2-[(5-pyrrolidin-1-ylcarbonyl-1,3-benzothiazol-2-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-(2-methoxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]quinazolin-4-one CAS Name: 3-(2-methoxyphenyl)-2-[[[5-[oxo(1-pyrrolidinyl)methyl]-1,3-benzothiazol-2-yl]thio]methyl]-4-quinazolinone IUPAC Name: 3-(2-methoxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]quinazolin-4-one Traditional Name: 3-(2-methoxyphenyl)-2-[[[5-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]thio]methyl]quinazolin-4-one Formula: C28H24N4O3S2 MolecularWeight: 528.64516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NC5=C(S4)C=CC(=C5)C(=O)N6CCCC6

Isomeric SMILES

COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NC5=C(S4)C=CC(=C5)C(=O)N6CCCC6

InChI

InChI=1S/C28H24N4O3S2/c1-35-23-11-5-4-10-22(23)32-25(29-20-9-3-2-8-19(20)27(32)34)17-36-28-30-21-16-18(12-13-24(21)37-28)26(33)31-14-6-7-15-31/h2-5,8-13,16H,6-7,14-15,17H2,1H3