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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-cyclopropyl-piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-cyclopropyl-piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-cyclopropyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-cyclopropylpiperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-cyclopropyl-piperazine-1-carbothioamide Formula: C17H17ClN4O3S2 MolecularWeight: 424.92488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC1NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN4O3S2/c18-14-12-4-3-11(22(24)25)9-13(12)27-15(14)16(23)20-5-7-21(8-6-20)17(26)19-10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,19,26)