4-methyloctane; 6-phenyl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 4-methyloctane; 6-phenyl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 5-allyl-6-phenyl-2-thioxo-hexahydropyrimidin-4-one; 4-methyloctane CAS Name: 4-methyloctane; 6-phenyl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 4-methyloctane; 6-phenyl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 5-allyl-6-phenyl-2-thioxo-hexahydropyrimidin-4-one; 4-methyloctane Formula: C22H34N2OS MolecularWeight: 374.58316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCC.C=CCC1C(NC(=S)NC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C)CCC.C=CCC1C(NC(=S)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2OS.C9H20/c1-2-6-10-11(9-7-4-3-5-8-9)14-13(17)15-12(10)16;1-4-6-8-9(3)7-5-2/h2-5,7-8,10-11H,1,6H2,(H2,14,15,16,17);9H,4-8H2,1-3H3