2-methyl-5-morpholin-4-ylsulfonyl-N-(pentan-2-ylcarbamothioyl)benzamide

Systemtic Name: 2-methyl-5-morpholin-4-ylsulfonyl-N-(pentan-2-ylcarbamothioyl)benzamide Openeye Name: 2-methyl-N-(1-methylbutylcarbamothioyl)-5-morpholinosulfonyl-benzamide CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)-N-[(pentan-2-ylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-5-morpholin-4-ylsulfonyl-N-(pentan-2-ylcarbamothioyl)benzamide Traditional Name: 2-methyl-N-(1-methylbutylthiocarbamoyl)-5-morpholinosulfonyl-benzamide Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=S)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)C

Isomeric SMILES

CCCC(C)NC(=S)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)C

InChI

InChI=1S/C18H27N3O4S2/c1-4-5-14(3)19-18(26)20-17(22)16-12-15(7-6-13(16)2)27(23,24)21-8-10-25-11-9-21/h6-7,12,14H,4-5,8-11H2,1-3H3,(H2,19,20,22,26)