4-nitro-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide

Systemtic Name: 4-nitro-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-isopropoxyphenyl)carbamothioyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[(3-propan-2-yloxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-isopropoxyphenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-11(2)24-15-5-3-4-13(10-15)18-17(25)19-16(21)12-6-8-14(9-7-12)20(22)23/h3-11H,1-2H3,(H2,18,19,21,25)