2-[3-(4-chloranyl-3-nitro-phenyl)prop-2-enoylcarbamothioylamino]benzamide

Systemtic Name: 2-[3-(4-chloranyl-3-nitro-phenyl)prop-2-enoylcarbamothioylamino]benzamide Openeye Name: 2-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylcarbamothioylamino]benzamide CAS Name: 2-[[[[3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-[3-(4-chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzamide Traditional Name: 2-[[3-(4-chloro-3-nitro-phenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O4S/c18-12-7-5-10(9-14(12)22(25)26)6-8-15(23)21-17(27)20-13-4-2-1-3-11(13)16(19)24/h1-9H,(H2,19,24)(H2,20,21,23,27)