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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C20H16ClN5O5S2 MolecularWeight: 505.95454

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN5O5S2/c21-17-15-5-4-14(26(30)31)11-16(15)33-18(17)19(27)23-6-8-24(9-7-23)20(32)22-12-2-1-3-13(10-12)25(28)29/h1-5,10-11H,6-9H2,(H,22,32)