N-[(4-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-nosyl-piperazine-1-carbothioamide Formula: C18H19ClN4O4S2 MolecularWeight: 454.95086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O4S2/c19-15-3-1-14(2-4-15)13-20-18(28)21-9-11-22(12-10-21)29(26,27)17-7-5-16(6-8-17)23(24)25/h1-8H,9-13H2,(H,20,28)