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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-phenethyl-piperazine-1-carbothioamide Formula: C22H21ClN4O3S2 MolecularWeight: 489.01014

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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)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4O3S2/c23-19-17-7-6-16(27(29)30)14-18(17)32-20(19)21(28)25-10-12-26(13-11-25)22(31)24-9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,24,31)