methyl 2-[2-[(diphenylmethyl)carbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(diphenylmethyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-(benzhydrylcarbamothioylamino)acetyl]amino]hexanoate CAS Name: 2-[[2-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-(benzhydrylcarbamothioylamino)acetyl]amino]hexanoate Traditional Name: 2-[[2-(benzhydrylthiocarbamoylamino)acetyl]amino]hexanoic acid methyl ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C23H29N3O3S/c1-3-4-15-19(22(28)29-2)25-20(27)16-24-23(30)26-21(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19,21H,3-4,15-16H2,1-2H3,(H,25,27)(H2,24,26,30)