N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C23H23N3O4S/c1-3-9-26-22(28)17-7-5-16(12-18(17)25-23(26)31)21(27)24-14(2)15-6-8-19-20(13-15)30-11-4-10-29-19/h3,5-8,12-14H,1,4,9-11H2,2H3,(H,24,27)(H,25,31)