3-chloranyl-6-(N'-propan-2-ylcarbamimidoyl)-N-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-(N'-propan-2-ylcarbamimidoyl)-N-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-(N'-isopropylcarbamimidoyl)-N-[4-(N'-isopropylcarbamimidoyl)phenyl]benzothiophene-2-carboxamide CAS Name: 6-[amino(propan-2-ylimino)methyl]-N-[4-[amino(propan-2-ylimino)methyl]phenyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-(N'-propan-2-ylcarbamimidoyl)-N-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-(N'-isopropylamidino)-N-[4-(N'-isopropylamidino)phenyl]benzothiophene-2-carboxamide Formula: C23H26ClN5OS MolecularWeight: 456.00344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)C(=NC(C)C)N)Cl)N

Isomeric SMILES

CC(C)N=C(C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)C(=NC(C)C)N)Cl)N

InChI

InChI=1S/C23H26ClN5OS/c1-12(2)27-21(25)14-5-8-16(9-6-14)29-23(30)20-19(24)17-10-7-15(11-18(17)31-20)22(26)28-13(3)4/h5-13H,1-4H3,(H2,25,27)(H2,26,28)(H,29,30)