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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(2-methoxyethyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(2-methoxyethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide Formula: C17H19ClN4O4S2 MolecularWeight: 442.94016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O4S2/c1-26-9-4-19-17(27)21-7-5-20(6-8-21)16(23)15-14(18)12-3-2-11(22(24)25)10-13(12)28-15/h2-3,10H,4-9H2,1H3,(H,19,27)