N'-[(E)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[(4-oxidanylidene-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)sulfanyl]propanehydrazide

Systemtic Name: N'-[(E)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[(4-oxidanylidene-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)sulfanyl]propanehydrazide Openeye Name: N'-[(E)-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)sulfanyl]propanehydrazide CAS Name: N'-[(E)-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)thio]propanehydrazide IUPAC Name: N'-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)sulfanyl]propanehydrazide Traditional Name: N'-[(E)-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[(4-keto-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)thio]propionohydrazide Formula: C18H23BrN4O3S MolecularWeight: 455.36922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC=C1C=C(C=CC1=O)Br)SC2NC3CCCCC3C(=O)N2

Isomeric SMILES

CC(C(=O)NN/C=C/1\C=C(C=CC1=O)Br)SC2NC3CCCCC3C(=O)N2

InChI

InChI=1S/C18H23BrN4O3S/c1-10(16(25)23-20-9-11-8-12(19)6-7-15(11)24)27-18-21-14-5-3-2-4-13(14)17(26)22-18/h6-10,13-14,18,20-21H,2-5H2,1H3,(H,22,26)(H,23,25)/b11-9+