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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-phenyl-piperazine-1-carbothioamide Formula: C20H17ClN4O3S2 MolecularWeight: 460.95698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C20H17ClN4O3S2/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/h1-7,12H,8-11H2,(H,22,29)