3-(phenylmethyl)-7-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(phenylmethyl)-7-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-benzyl-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[oxo(1-pyrrolidinyl)methyl]-3-(phenylmethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-benzyl-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-benzyl-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O2S/c24-18(22-10-4-5-11-22)15-8-9-16-17(12-15)21-20(26)23(19(16)25)13-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,21,26)