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

Systemtic Name: methyl 3-chloranyl-2-[[4-(N'-propan-2-ylcarbamimidoyl)phenyl]carbamoyl]-1-benzothiophene-6-carboxylate Openeye Name: methyl 3-chloro-2-[[4-(N'-isopropylcarbamimidoyl)phenyl]carbamoyl]benzothiophene-6-carboxylate CAS Name: 2-[[4-[amino(propan-2-ylimino)methyl]anilino]-oxomethyl]-3-chloro-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-2-[[4-(N'-propan-2-ylcarbamimidoyl)phenyl]carbamoyl]-1-benzothiophene-6-carboxylate Traditional Name: 3-chloro-2-[[4-(N'-isopropylamidino)phenyl]carbamoyl]benzothiophene-6-carboxylic acid methyl ester Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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(=O)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)C(=O)OC)Cl)N

InChI

InChI=1S/C21H20ClN3O3S/c1-11(2)24-19(23)12-4-7-14(8-5-12)25-20(26)18-17(22)15-9-6-13(21(27)28-3)10-16(15)29-18/h4-11H,1-3H3,(H2,23,24)(H,25,26)