N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-4-ethyl-benzamide

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-4-ethyl-benzamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-ethylbenzamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-4-ethyl-benzamide Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2C)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2C)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN3O3S/c1-3-11-4-6-12(7-5-11)16(22)20-17(25)19-14-9-13(18)15(21(23)24)8-10(14)2/h4-9H,3H2,1-2H3,(H2,19,20,22,25)