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

Systemtic Name: 3-nitro-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide Openeye Name: N-[(4-isopropoxyphenyl)methylcarbamothioyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[[(4-propan-2-yloxyphenyl)methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide Traditional Name: N-[(4-isopropoxybenzyl)thiocarbamoyl]-3-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-12(2)25-16-8-6-13(7-9-16)11-19-18(26)20-17(22)14-4-3-5-15(10-14)21(23)24/h3-10,12H,11H2,1-2H3,(H2,19,20,22,26)