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

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-12(13-5-7-17-18(11-13)28-9-3-8-27-17)22-19(25)14-4-6-15-16(10-14)23-21(29)24(2)20(15)26/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,25)(H,23,29)