tert-butyl N-[3-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]phenyl]carbamate CAS Name: N-[3-[[[[[(2S)-2-methylheptyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[[(2S)-2-methylheptyl]thiocarbamoylamino]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C21H34N4O3S MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=CC(=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=CC(=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H34N4O3S/c1-6-7-8-10-15(2)14-22-19(29)25-24-18(26)16-11-9-12-17(13-16)23-20(27)28-21(3,4)5/h9,11-13,15H,6-8,10,14H2,1-5H3,(H,23,27)(H,24,26)(H2,22,25,29)/t15-/m0/s1