5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N-phenethyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N-phenethyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-morpholinosulfonylphenyl)methylsulfanyl]-N-phenethyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-N-phenethyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N-phenethyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-morpholinosulfonylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-phenethyl-amine Formula: C21H24N4O3S3 MolecularWeight: 476.63526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NN=C(S3)NCCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NN=C(S3)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3S3/c26-31(27,25-11-13-28-14-12-25)19-8-4-7-18(15-19)16-29-21-24-23-20(30-21)22-10-9-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,22,23)