2-(3-methylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(3-methylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(3-methylphenoxy)-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(3-methylphenoxy)-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(3-methylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(3-methylphenoxy)-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O4S2/c1-16-6-5-7-18(14-16)28-15-20(25)23-21(29)22-17-8-10-19(11-9-17)30(26,27)24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15H2,1H3,(H2,22,23,25,29)