N-[2-chloranyl-5-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-chloranyl-5-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-[[4-(1-cyano-1-methyl-ethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[[4-(2-cyanopropan-2-yl)anilino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-[[4-(1-cyano-1-methyl-ethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C22H18ClN3O2S MolecularWeight: 423.91522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H18ClN3O2S/c1-22(2,13-24)15-6-8-16(9-7-15)25-20(27)14-5-10-17(23)18(12-14)26-21(28)19-4-3-11-29-19/h3-12H,1-2H3,(H,25,27)(H,26,28)