N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[3-(2,3-dimethylcyclohexyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[[3-(2,3-dimethylcyclohexyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[3-(2,3-dimethylcyclohexyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[[3-(2,3-dimethylcyclohexyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C27H31N3O4S/c1-17-8-7-11-22(18(17)2)30-26(32)20-9-3-4-10-21(20)29-27(30)35-16-25(31)28-14-19-15-33-23-12-5-6-13-24(23)34-19/h3-6,9-10,12-13,17-19,22H,7-8,11,14-16H2,1-2H3,(H,28,31)