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

Systemtic Name: N-(4-chlorophenyl)-4-[2-[(4-chlorophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-[2-[(4-chlorophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide CAS Name: 4-[2-[[(4-chloroanilino)-sulfanylidenemethyl]amino]ethyl]-N-(4-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chlorophenyl)-4-[2-[(4-chlorophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-[2-[(4-chlorophenyl)thiocarbamoylamino]ethyl]piperazine-1-carbothioamide Formula: C20H23Cl2N5S2 MolecularWeight: 468.46612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=S)NC2=CC=C(C=C2)Cl)C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1CCNC(=S)NC2=CC=C(C=C2)Cl)C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23Cl2N5S2/c21-15-1-5-17(6-2-15)24-19(28)23-9-10-26-11-13-27(14-12-26)20(29)25-18-7-3-16(22)4-8-18/h1-8H,9-14H2,(H,25,29)(H2,23,24,28)