methyl 4-[[(4-tert-butylphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(4-tert-butylphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-tert-butylbenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-tert-butylbenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-tert-butylbenzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C17H25N3O3S/c1-17(2,3)13-9-7-12(8-10-13)15(22)19-20-16(24)18-11-5-6-14(21)23-4/h7-10H,5-6,11H2,1-4H3,(H,19,22)(H2,18,20,24)