3-chloranyl-N-[3-(3-methylbutanoylamino)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[3-(3-methylbutanoylamino)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-(3-methylbutanoylamino)phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-[(3-methyl-1-oxobutyl)amino]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-(3-methylbutanoylamino)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-(isovalerylamino)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H18ClN3O4S/c1-11(2)9-16(25)22-12-5-3-6-13(10-12)23-20(26)19-17(21)14-7-4-8-15(24(27)28)18(14)29-19/h3-8,10-11H,9H2,1-2H3,(H,22,25)(H,23,26)