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

Systemtic Name: 3-chloranyl-6-methoxy-N-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(N'-isopropylcarbamimidoyl)phenyl]-6-methoxy-benzothiophene-2-carboxamide CAS Name: N-[4-[amino(propan-2-ylimino)methyl]phenyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(N'-isopropylamidino)phenyl]-6-methoxy-benzothiophene-2-carboxamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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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)OC)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c1-11(2)23-19(22)12-4-6-13(7-5-12)24-20(25)18-17(21)15-9-8-14(26-3)10-16(15)27-18/h4-11H,1-3H3,(H2,22,23)(H,24,25)