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

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(4-cyclopentylsulfanylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-(cyclopentylthio)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[4-(cyclopentylthio)phenyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H23N3O2S2 MolecularWeight: 437.57762

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)SC4CCCC4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)SC4CCCC4)NC1=S

InChI

InChI=1S/C23H23N3O2S2/c1-2-13-26-22(28)19-12-7-15(14-20(19)25-23(26)29)21(27)24-16-8-10-18(11-9-16)30-17-5-3-4-6-17/h2,7-12,14,17H,1,3-6,13H2,(H,24,27)(H,25,29)