methyl N'-butyl-N-(5-chloranyl-2-morpholin-4-yl-phenyl)carbamimidothioate

Systemtic Name: methyl N'-butyl-N-(5-chloranyl-2-morpholin-4-yl-phenyl)carbamimidothioate Openeye Name: 3-butyl-1-(5-chloro-2-morpholino-phenyl)-2-methyl-isothiourea CAS Name: N'-butyl-N-[5-chloro-2-(4-morpholinyl)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-butyl-N-(5-chloro-2-morpholin-4-ylphenyl)carbamimidothioate Traditional Name: 3-butyl-1-(5-chloro-2-morpholino-phenyl)-2-methyl-isothiourea Formula: C16H24ClN3OS MolecularWeight: 341.89926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NC1=C(C=CC(=C1)Cl)N2CCOCC2)SC

Isomeric SMILES

CCCCN=C(NC1=C(C=CC(=C1)Cl)N2CCOCC2)SC

InChI

InChI=1S/C16H24ClN3OS/c1-3-4-7-18-16(22-2)19-14-12-13(17)5-6-15(14)20-8-10-21-11-9-20/h5-6,12H,3-4,7-11H2,1-2H3,(H,18,19)