N-[1-(4-butan-2-ylphenyl)propyl]-3-chloranyl-6-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-chloranyl-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-nitro-N-[1-(4-sec-butylphenyl)propyl]benzothiophene-2-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-chloro-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-chloro-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-nitro-N-[1-(4-sec-butylphenyl)propyl]benzothiophene-2-carboxamide Formula: C22H23ClN2O3S MolecularWeight: 430.94762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H23ClN2O3S/c1-4-13(3)14-6-8-15(9-7-14)18(5-2)24-22(26)21-20(23)17-11-10-16(25(27)28)12-19(17)29-21/h6-13,18H,4-5H2,1-3H3,(H,24,26)