N-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: N-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: N-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioyl]-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: N-[[[(2,6-dimethylanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: N-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-[[(2,6-dimethylphenyl)thiocarbamoylamino]thiocarbamoyl]-3-(4-morpholinosulfonylphenyl)propionamide Formula: C23H29N5O4S3 MolecularWeight: 535.70246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H29N5O4S3/c1-16-4-3-5-17(2)21(16)25-23(34)27-26-22(33)24-20(29)11-8-18-6-9-19(10-7-18)35(30,31)28-12-14-32-15-13-28/h3-7,9-10H,8,11-15H2,1-2H3,(H2,25,27,34)(H2,24,26,29,33)