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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(3-methoxypropyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(3-methoxypropyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide Formula: C18H21ClN4O4S2 MolecularWeight: 456.96674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O4S2/c1-27-10-2-5-20-18(28)22-8-6-21(7-9-22)17(24)16-15(19)13-4-3-12(23(25)26)11-14(13)29-16/h3-4,11H,2,5-10H2,1H3,(H,20,28)