3-ethyl-7-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-ethyl-7-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-ethyl-7-[4-(4-isopropylbenzoyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-ethyl-7-[oxo-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-ethyl-7-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-cumoylpiperazine-1-carbonyl)-3-ethyl-2-thioxo-1H-quinazolin-4-one Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)C)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)C)NC1=S

InChI

InChI=1S/C25H28N4O3S/c1-4-29-24(32)20-10-9-19(15-21(20)26-25(29)33)23(31)28-13-11-27(12-14-28)22(30)18-7-5-17(6-8-18)16(2)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,26,33)