ethane; 2-(3-methylbutylsulfanyl)-6-phenyl-5-prop-2-enyl-1,3-diazinan-4-one

Systemtic Name: ethane; 2-(3-methylbutylsulfanyl)-6-phenyl-5-prop-2-enyl-1,3-diazinan-4-one Openeye Name: 5-allyl-2-isopentylsulfanyl-6-phenyl-hexahydropyrimidin-4-one; ethane CAS Name: ethane; 2-(3-methylbutylthio)-6-phenyl-5-prop-2-enyl-1,3-diazinan-4-one IUPAC Name: ethane; 2-(3-methylbutylsulfanyl)-6-phenyl-5-prop-2-enyl-1,3-diazinan-4-one Traditional Name: 5-allyl-2-(isoamylthio)-6-phenyl-hexahydropyrimidin-4-one; ethane Formula: C24H44N2OS MolecularWeight: 408.68396

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC.CC.CC(C)CCSC1NC(C(C(=O)N1)CC=C)C2=CC=CC=C2

Isomeric SMILES

CC.CC.CC.CC(C)CCSC1NC(C(C(=O)N1)CC=C)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2OS.3C2H6/c1-4-8-15-16(14-9-6-5-7-10-14)19-18(20-17(15)21)22-12-11-13(2)3;3*1-2/h4-7,9-10,13,15-16,18-19H,1,8,11-12H2,2-3H3,(H,20,21);3*1-2H3