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

Systemtic Name: 3-chloranyl-N-[4-[(3-methylphenyl)carbonylamino]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[(3-methylbenzoyl)amino]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[(3-methylbenzoyl)amino]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(m-toluoylamino)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C23H16ClN3O4S MolecularWeight: 465.90884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H16ClN3O4S/c1-13-4-2-5-14(12-13)22(28)25-15-8-10-16(11-9-15)26-23(29)21-19(24)17-6-3-7-18(27(30)31)20(17)32-21/h2-12H,1H3,(H,25,28)(H,26,29)