3-[2-azanyl-1,3-bis(1,3-benzothiazol-2-yl)-4-oxidanylidene-cyclopent-2-en-1-yl]quinazolin-4-one

Systemtic Name: 3-[2-azanyl-1,3-bis(1,3-benzothiazol-2-yl)-4-oxidanylidene-cyclopent-2-en-1-yl]quinazolin-4-one Openeye Name: 3-[2-amino-1,3-bis(1,3-benzothiazol-2-yl)-4-oxo-cyclopent-2-en-1-yl]quinazolin-4-one CAS Name: 3-[2-amino-1,3-bis(1,3-benzothiazol-2-yl)-4-oxo-1-cyclopent-2-enyl]-4-quinazolinone IUPAC Name: 3-[2-amino-1,3-bis(1,3-benzothiazol-2-yl)-4-oxocyclopent-2-en-1-yl]quinazolin-4-one Traditional Name: 3-[2-amino-1,3-bis(1,3-benzothiazol-2-yl)-4-keto-cyclopent-2-en-1-yl]quinazolin-4-one Formula: C27H17N5O2S2 MolecularWeight: 507.58618

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(C1(C2=NC3=CC=CC=C3S2)N4C=NC5=CC=CC=C5C4=O)N)C6=NC7=CC=CC=C7S6

Isomeric SMILES

C1C(=O)C(=C(C1(C2=NC3=CC=CC=C3S2)N4C=NC5=CC=CC=C5C4=O)N)C6=NC7=CC=CC=C7S6

InChI

InChI=1S/C27H17N5O2S2/c28-23-22(24-30-17-9-3-5-11-20(17)35-24)19(33)13-27(23,26-31-18-10-4-6-12-21(18)36-26)32-14-29-16-8-2-1-7-15(16)25(32)34/h1-12,14H,13,28H2