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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-ethyl-piperazine-1-carbothioamide Formula: C16H17ClN4O3S2 MolecularWeight: 412.91418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O3S2/c1-2-18-16(25)20-7-5-19(6-8-20)15(22)14-13(17)11-4-3-10(21(23)24)9-12(11)26-14/h3-4,9H,2,5-8H2,1H3,(H,18,25)