3-chloranyl-N-[4-(2-methylpropanoylamino)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(2-methylpropanoylamino)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(2-methylpropanoylamino)phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(2-methylpropanoylamino)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(isobutyrylamino)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C19H16ClN3O4S MolecularWeight: 417.86604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O4S/c1-10(2)18(24)21-11-6-8-12(9-7-11)22-19(25)17-15(20)13-4-3-5-14(23(26)27)16(13)28-17/h3-10H,1-2H3,(H,21,24)(H,22,25)