N-[(2-cyanophenyl)carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(2-cyanophenyl)carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(2-cyanophenyl)carbamothioyl]-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-[(2-cyanoanilino)-sulfanylidenemethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(2-cyanophenyl)carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(2-cyanophenyl)thiocarbamoyl]-2-methyl-5-morpholinosulfonyl-benzamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(=S)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(=S)NC3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N4O4S2/c1-14-6-7-16(30(26,27)24-8-10-28-11-9-24)12-17(14)19(25)23-20(29)22-18-5-3-2-4-15(18)13-21/h2-7,12H,8-11H2,1H3,(H2,22,23,25,29)