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

Systemtic Name: 3-chloranyl-6-cyano-N-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzothiophene-2-carboxamide hydrochloride Openeye Name: 3-chloro-6-cyano-N-[4-(N'-isopropylcarbamimidoyl)phenyl]benzothiophene-2-carboxamide hydrochloride CAS Name: N-[4-[amino(propan-2-ylimino)methyl]phenyl]-3-chloro-6-cyano-1-benzothiophene-2-carboxamide hydrochloride IUPAC Name: 3-chloro-6-cyano-N-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzothiophene-2-carboxamide hydrochloride Traditional Name: 3-chloro-6-cyano-N-[4-(N'-isopropylamidino)phenyl]benzothiophene-2-carboxamide hydrochloride Formula: C20H18Cl2N4OS MolecularWeight: 433.35412

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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#N)Cl)N.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4OS.ClH/c1-11(2)24-19(23)13-4-6-14(7-5-13)25-20(26)18-17(21)15-8-3-12(10-22)9-16(15)27-18;/h3-9,11H,1-2H3,(H2,23,24)(H,25,26);1H