N-(4-butan-2-ylphenyl)-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-butan-2-ylphenyl)-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-7-nitro-N-(4-sec-butylphenyl)benzothiophene-2-carboxamide CAS Name: N-(4-butan-2-ylphenyl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-butan-2-ylphenyl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-(4-sec-butylphenyl)benzothiophene-2-carboxamide Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O3S/c1-3-11(2)12-7-9-13(10-8-12)21-19(23)18-16(20)14-5-4-6-15(22(24)25)17(14)26-18/h4-11H,3H2,1-2H3,(H,21,23)