4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-methyl-piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-methylpiperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-methyl-piperazine-1-carbothioamide Formula: C15H15ClN4O3S2 MolecularWeight: 398.8876

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CNC(=S)N1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H15ClN4O3S2/c1-17-15(24)19-6-4-18(5-7-19)14(21)13-12(16)10-3-2-9(20(22)23)8-11(10)25-13/h2-3,8H,4-7H2,1H3,(H,17,24)