2-chloranyl-N'-[[1-hexyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzohydrazide

Systemtic Name: 2-chloranyl-N'-[[1-hexyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzohydrazide Openeye Name: 2-chloro-N'-[(1-hexyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzohydrazide CAS Name: 2-chloro-N'-[(1-hexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzohydrazide IUPAC Name: 2-chloro-N'-[(1-hexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzohydrazide Traditional Name: 2-chloro-N'-[(1-hexyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzohydrazide Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CNNC(=O)C2=CC=CC=C2Cl)C(=O)NC1=S

Isomeric SMILES

CCCCCCN1C(=O)C(=CNNC(=O)C2=CC=CC=C2Cl)C(=O)NC1=S

InChI

InChI=1S/C18H21ClN4O3S/c1-2-3-4-7-10-23-17(26)13(15(24)21-18(23)27)11-20-22-16(25)12-8-5-6-9-14(12)19/h5-6,8-9,11,20H,2-4,7,10H2,1H3,(H,22,25)(H,21,24,27)