3-phenethyl-7-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-phenethyl-7-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-phenethyl-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[oxo(1-pyrrolidinyl)methyl]-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-phenethyl-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-phenethyl-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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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)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c25-19(23-11-4-5-12-23)16-8-9-17-18(14-16)22-21(27)24(20(17)26)13-10-15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H,22,27)