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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(2-oxolanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(tetrahydrofurfuryl)piperazine-1-carbothioamide Formula: C19H21ClN4O4S2 MolecularWeight: 468.97744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN4O4S2/c20-16-14-4-3-12(24(26)27)10-15(14)30-17(16)18(25)22-5-7-23(8-6-22)19(29)21-11-13-2-1-9-28-13/h3-4,10,13H,1-2,5-9,11H2,(H,21,29)