3-chloranyl-N-(4-methylphenyl)-6-(N'-propan-2-ylcarbamimidoyl)-1-benzothiophene-2-carboxamide hydrochloride

Systemtic Name: 3-chloranyl-N-(4-methylphenyl)-6-(N'-propan-2-ylcarbamimidoyl)-1-benzothiophene-2-carboxamide hydrochloride Openeye Name: 3-chloro-6-(N'-isopropylcarbamimidoyl)-N-(p-tolyl)benzothiophene-2-carboxamide hydrochloride CAS Name: 6-[amino(propan-2-ylimino)methyl]-3-chloro-N-(4-methylphenyl)-1-benzothiophene-2-carboxamide hydrochloride IUPAC Name: 3-chloro-N-(4-methylphenyl)-6-(N'-propan-2-ylcarbamimidoyl)-1-benzothiophene-2-carboxamide hydrochloride Traditional Name: 3-chloro-6-(N'-isopropylamidino)-N-(p-tolyl)benzothiophene-2-carboxamide hydrochloride Formula: C20H21Cl2N3OS MolecularWeight: 422.37124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)C(=NC(C)C)N)Cl.Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)C(=NC(C)C)N)Cl.Cl

InChI

InChI=1S/C20H20ClN3OS.ClH/c1-11(2)23-19(22)13-6-9-15-16(10-13)26-18(17(15)21)20(25)24-14-7-4-12(3)5-8-14;/h4-11H,1-3H3,(H2,22,23)(H,24,25);1H