methyl 4-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-isopropylphenyl)carbamothioylamino]carbamothioylamino]butanoate CAS Name: 4-[[[[(4-propan-2-ylanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamothioylamino]butanoate Traditional Name: 4-[(p-cumenylthiocarbamoylamino)thiocarbamoylamino]butyric acid methyl ester Formula: C16H24N4O2S2 MolecularWeight: 368.51736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O2S2/c1-11(2)12-6-8-13(9-7-12)18-16(24)20-19-15(23)17-10-4-5-14(21)22-3/h6-9,11H,4-5,10H2,1-3H3,(H2,17,19,23)(H2,18,20,24)