3-[(Z)-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(Z)-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyleneamino]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyleneamino]-2-thioxo-1H-quinazolin-4-one Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=NN3C(=O)C4=CC=CC=C4NC3=S)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=N\N3C(=O)C4=CC=CC=C4NC3=S)Cl)OC1

InChI

InChI=1S/C18H14ClN3O3S/c19-13-8-11(9-15-16(13)25-7-3-6-24-15)10-20-22-17(23)12-4-1-2-5-14(12)21-18(22)26/h1-2,4-5,8-10H,3,6-7H2,(H,21,26)/b20-10-