N-(2-cyclopentylsulfanylphenyl)-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(cyclopentylthio)phenyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3SC4CCCC4)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3SC4CCCC4)NC1=S

InChI

InChI=1S/C22H23N3O2S2/c1-2-25-21(27)16-12-11-14(13-18(16)24-22(25)28)20(26)23-17-9-5-6-10-19(17)29-15-7-3-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,26)(H,24,28)