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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-cyclohexyl-piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-cyclohexyl-piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-cyclohexyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-cyclohexylpiperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-cyclohexyl-piperazine-1-carbothioamide Formula: C20H23ClN4O3S2 MolecularWeight: 467.00462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H23ClN4O3S2/c21-17-15-7-6-14(25(27)28)12-16(15)30-18(17)19(26)23-8-10-24(11-9-23)20(29)22-13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,22,29)