(E)-N-[2-[4-methoxy-3-(propan-2-ylcarbamothioylsulfamoyl)phenyl]ethyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[2-[4-methoxy-3-(propan-2-ylcarbamothioylsulfamoyl)phenyl]ethyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[2-[3-(isopropylcarbamothioylsulfamoyl)-4-methoxy-phenyl]ethyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[2-[4-methoxy-3-[[(propan-2-ylamino)-sulfanylidenemethyl]sulfamoyl]phenyl]ethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[2-[4-methoxy-3-(propan-2-ylcarbamothioylsulfamoyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[2-[3-(isopropylthiocarbamoylsulfamoyl)-4-methoxy-phenyl]ethyl]-3-(2-thienyl)acrylamide Formula: C20H25N3O4S3 MolecularWeight: 467.6252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C=CC2=CC=CS2)OC

Isomeric SMILES

CC(C)NC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)/C=C/C2=CC=CS2)OC

InChI

InChI=1S/C20H25N3O4S3/c1-14(2)22-20(28)23-30(25,26)18-13-15(6-8-17(18)27-3)10-11-21-19(24)9-7-16-5-4-12-29-16/h4-9,12-14H,10-11H2,1-3H3,(H,21,24)(H2,22,23,28)/b9-7+