4-chloranyl-3-nitro-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(allylcarbamoyl)phenyl]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(allylcarbamoyl)phenyl]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O4S/c1-2-9-20-17(25)12-5-3-4-6-14(12)21-18(28)22-16(24)11-7-8-13(19)15(10-11)23(26)27/h2-8,10H,1,9H2,(H,20,25)(H2,21,22,24,28)