N-(3,5-dimethylpiperidin-1-yl)carbothioyl-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(3,5-dimethylpiperidin-1-yl)carbothioyl-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(3,5-dimethylpiperidine-1-carbothioyl)-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-[(3,5-dimethyl-1-piperidinyl)-sulfanylidenemethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(3,5-dimethylpiperidine-1-carbothioyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(3,5-dimethylpiperidine-1-carbothioyl)-2-methyl-5-morpholinosulfonyl-benzamide Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=S)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=S)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C)C

InChI

InChI=1S/C20H29N3O4S2/c1-14-10-15(2)13-22(12-14)20(28)21-19(24)18-11-17(5-4-16(18)3)29(25,26)23-6-8-27-9-7-23/h4-5,11,14-15H,6-10,12-13H2,1-3H3,(H,21,24,28)