N-(4-nitrophenyl)-4-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-nitrophenyl)-4-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Openeye Name: N-(4-nitrophenyl)-4-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide CAS Name: 4-[2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]ethyl]-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-nitrophenyl)-4-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Traditional Name: N-(4-nitrophenyl)-4-[2-[(4-nitrophenyl)thiocarbamoylamino]ethyl]piperazine-1-carbothioamide Formula: C20H23N7O4S2 MolecularWeight: 489.57112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N7O4S2/c28-26(29)17-5-1-15(2-6-17)22-19(32)21-9-10-24-11-13-25(14-12-24)20(33)23-16-3-7-18(8-4-16)27(30)31/h1-8H,9-14H2,(H,23,33)(H2,21,22,32)