S-[4-(3,4-dimethylphenyl)butyl] N-[2-(tert-butyldiazenyl)propan-2-ylcarbamothioylamino]carbamothioate

Systemtic Name: S-[4-(3,4-dimethylphenyl)butyl] N-[2-(tert-butyldiazenyl)propan-2-ylcarbamothioylamino]carbamothioate Openeye Name: S-[4-(3,4-dimethylphenyl)butyl] N-[(1-tert-butylazo-1-methyl-ethyl)carbamothioylamino]carbamothioate CAS Name: N-[[(2-tert-butylazopropan-2-ylamino)-sulfanylidenemethyl]amino]carbamothioic acid S-[4-(3,4-dimethylphenyl)butyl] ester IUPAC Name: S-[4-(3,4-dimethylphenyl)butyl] N-[2-(tert-butyldiazenyl)propan-2-ylcarbamothioylamino]carbamothioate Traditional Name: N-[(1-tert-butylazo-1-methyl-ethyl)thiocarbamoylamino]thiocarbamic acid S-[4-(3,4-dimethylphenyl)butyl] ester Formula: C21H35N5OS2 MolecularWeight: 437.6655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCCCSC(=O)NNC(=S)NC(C)(C)N=NC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCCCSC(=O)NNC(=S)NC(C)(C)N=NC(C)(C)C)C

InChI

InChI=1S/C21H35N5OS2/c1-15-11-12-17(14-16(15)2)10-8-9-13-29-19(27)24-23-18(28)22-21(6,7)26-25-20(3,4)5/h11-12,14H,8-10,13H2,1-7H3,(H,24,27)(H2,22,23,28)