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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-cyclopentyl-piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-cyclopentyl-piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-cyclopentyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-cyclopentylpiperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-cyclopentyl-piperazine-1-carbothioamide Formula: C19H21ClN4O3S2 MolecularWeight: 452.97804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(C1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN4O3S2/c20-16-14-6-5-13(24(26)27)11-15(14)29-17(16)18(25)22-7-9-23(10-8-22)19(28)21-12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2,(H,21,28)