3-(4-methylphenyl)sulfanyl-N-[(E)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]propanamide

Systemtic Name: 3-(4-methylphenyl)sulfanyl-N-[(E)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]propanamide Openeye Name: 3-(p-tolylsulfanyl)-N-[(E)-[5-(4-sulfamoylphenyl)-2-furyl]methyleneamino]propanamide CAS Name: 3-[(4-methylphenyl)thio]-N-[(E)-[5-(4-sulfamoylphenyl)-2-furanyl]methylideneamino]propanamide IUPAC Name: 3-(4-methylphenyl)sulfanyl-N-[(E)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]propanamide Traditional Name: 3-(p-tolylthio)-N-[(E)-[5-(4-sulfamoylphenyl)-2-furyl]methyleneamino]propionamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N/N=C/C2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H21N3O4S2/c1-15-2-7-18(8-3-15)29-13-12-21(25)24-23-14-17-6-11-20(28-17)16-4-9-19(10-5-16)30(22,26)27/h2-11,14H,12-13H2,1H3,(H,24,25)(H2,22,26,27)/b23-14+