2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-cyclopropyl-4-quinazolinyl)thio]-1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2-cyclopropylquinazolin-4-yl)thio]-1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]ethanone Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=N2)SCC(=O)N4CCN(CC4)C(=O)C5COC6=CC=CC=C6O5

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=N2)SCC(=O)N4CCN(CC4)C(=O)C5COC6=CC=CC=C6O5

InChI

InChI=1S/C26H26N4O4S/c31-23(16-35-25-18-5-1-2-6-19(18)27-24(28-25)17-9-10-17)29-11-13-30(14-12-29)26(32)22-15-33-20-7-3-4-8-21(20)34-22/h1-8,17,22H,9-16H2