phenyl 7-[2-(propan-2-yldiazenyl)propan-2-ylcarbamothioylamino]heptanoate

Systemtic Name: phenyl 7-[2-(propan-2-yldiazenyl)propan-2-ylcarbamothioylamino]heptanoate Openeye Name: phenyl 7-[(1-isopropylazo-1-methyl-ethyl)carbamothioylamino]heptanoate CAS Name: 7-[[(2-propan-2-ylazopropan-2-ylamino)-sulfanylidenemethyl]amino]heptanoic acid phenyl ester IUPAC Name: phenyl 7-[2-(propan-2-yldiazenyl)propan-2-ylcarbamothioylamino]heptanoate Traditional Name: 7-[(1-isopropylazo-1-methyl-ethyl)thiocarbamoylamino]enanthic acid phenyl ester Formula: C20H32N4O2S MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=NC(C)(C)NC(=S)NCCCCCCC(=O)OC1=CC=CC=C1

Isomeric SMILES

CC(C)N=NC(C)(C)NC(=S)NCCCCCCC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C20H32N4O2S/c1-16(2)23-24-20(3,4)22-19(27)21-15-11-6-5-10-14-18(25)26-17-12-8-7-9-13-17/h7-9,12-13,16H,5-6,10-11,14-15H2,1-4H3,(H2,21,22,27)