3-chloranyl-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(4-methyl-3-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(4-methyl-3-nitro-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C17H12ClN3O3S2 MolecularWeight: 405.87848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O3S2/c1-9-6-7-10(8-12(9)21(23)24)19-17(25)20-16(22)15-14(18)11-4-2-3-5-13(11)26-15/h2-8H,1H3,(H2,19,20,22,25)