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

Systemtic Name: N-[(cyclohexylcarbamothioylamino)carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(cyclohexylcarbamothioylamino)carbamothioyl]-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-[[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(cyclohexylcarbamothioylamino)carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(cyclohexylthiocarbamoylamino)thiocarbamoyl]-2-methyl-5-morpholinosulfonyl-benzamide Formula: C20H29N5O4S3 MolecularWeight: 499.67036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(=S)NNC(=S)NC3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(=S)NNC(=S)NC3CCCCC3

InChI

InChI=1S/C20H29N5O4S3/c1-14-7-8-16(32(27,28)25-9-11-29-12-10-25)13-17(14)18(26)22-20(31)24-23-19(30)21-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3,(H2,21,23,30)(H2,22,24,26,31)