3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 3-[3-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-[4-(1,2-benzothiazol-3-yl)piperazino]-3-keto-propyl]quinazolin-4-one Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C22H21N5O2S/c28-20(9-10-27-15-23-18-7-3-1-5-16(18)22(27)29)25-11-13-26(14-12-25)21-17-6-2-4-8-19(17)30-24-21/h1-8,15H,9-14H2