7-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H22N4O2S2 MolecularWeight: 462.58708

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)NC1=S

InChI

InChI=1S/C24H22N4O2S2/c1-2-11-28-23(30)17-8-7-16(14-19(17)26-24(28)31)22(29)27-12-9-15(10-13-27)21-25-18-5-3-4-6-20(18)32-21/h2-8,14-15H,1,9-13H2,(H,26,31)