N-[[(2S)-heptan-2-yl]carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[[(2S)-heptan-2-yl]carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[[(1S)-1-methylhexyl]carbamothioyl]-5-morpholinosulfonyl-benzamide CAS Name: N-[[[(2S)-heptan-2-yl]amino]-sulfanylidenemethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[(2S)-heptan-2-yl]carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-methyl-N-[[(1S)-1-methylhexyl]thiocarbamoyl]-5-morpholinosulfonyl-benzamide Formula: C20H31N3O4S2 MolecularWeight: 441.60784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@H](C)NC(=S)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)C

InChI

InChI=1S/C20H31N3O4S2/c1-4-5-6-7-16(3)21-20(28)22-19(24)18-14-17(9-8-15(18)2)29(25,26)23-10-12-27-13-11-23/h8-9,14,16H,4-7,10-13H2,1-3H3,(H2,21,22,24,28)/t16-/m0/s1