N-[(2S)-2-ethylpiperidin-1-yl]carbothioyl-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(2S)-2-ethylpiperidin-1-yl]carbothioyl-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(2S)-2-ethylpiperidine-1-carbothioyl]-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-[[(2S)-2-ethyl-1-piperidinyl]-sulfanylidenemethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(2S)-2-ethylpiperidine-1-carbothioyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(2S)-2-ethylpiperidine-1-carbothioyl]-2-methyl-5-morpholinosulfonyl-benzamide Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=S)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC[C@H]1CCCCN1C(=S)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C20H29N3O4S2/c1-3-16-6-4-5-9-23(16)20(28)21-19(24)18-14-17(8-7-15(18)2)29(25,26)22-10-12-27-13-11-22/h7-8,14,16H,3-6,9-13H2,1-2H3,(H,21,24,28)/t16-/m0/s1