N-[(3-ethynylphenyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(3-ethynylphenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(3-ethynylphenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[(3-ethynylanilino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(3-ethynylphenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(3-ethynylphenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O3S/c1-2-11-4-3-5-13(10-11)17-16(23)18-15(20)12-6-8-14(9-7-12)19(21)22/h1,3-10H,(H2,17,18,20,23)