7-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]carbonyl-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]carbonyl-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-3-(2-furylmethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-3-(2-furanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2-furfuryl)-7-(2-p-phenetylpyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=CO5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=CO5

InChI

InChI=1S/C26H25N3O4S/c1-2-32-19-10-7-17(8-11-19)23-6-3-13-28(23)24(30)18-9-12-21-22(15-18)27-26(34)29(25(21)31)16-20-5-4-14-33-20/h4-5,7-12,14-15,23H,2-3,6,13,16H2,1H3,(H,27,34)