N-[(2-nitrophenyl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(2-nitrophenyl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[(2-nitrophenyl)carbamothioyl]benzamide CAS Name: N-[(2-nitroanilino)-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(2-nitrophenyl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(2-nitrophenyl)thiocarbamoyl]benzamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3S/c1-11(2)12-7-9-13(10-8-12)16(21)19-17(24)18-14-5-3-4-6-15(14)20(22)23/h3-11H,1-2H3,(H2,18,19,21,24)