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

Systemtic Name: N-(4-tert-butylphenyl)-4-[2-[(4-tert-butylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Openeye Name: N-(4-tert-butylphenyl)-4-[2-[(4-tert-butylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide CAS Name: 4-[2-[[(4-tert-butylanilino)-sulfanylidenemethyl]amino]ethyl]-N-(4-tert-butylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-tert-butylphenyl)-4-[2-[(4-tert-butylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Traditional Name: N-(4-tert-butylphenyl)-4-[2-[(4-tert-butylphenyl)thiocarbamoylamino]ethyl]piperazine-1-carbothioamide Formula: C28H41N5S2 MolecularWeight: 511.78864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=S)NCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=S)NCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H41N5S2/c1-27(2,3)21-7-11-23(12-8-21)30-25(34)29-15-16-32-17-19-33(20-18-32)26(35)31-24-13-9-22(10-14-24)28(4,5)6/h7-14H,15-20H2,1-6H3,(H,31,35)(H2,29,30,34)