methyl 6-[[(Z)-(4-phenylphenyl)methylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(4-phenylphenyl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(4-phenylphenyl)methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(4-phenylphenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(4-phenylphenyl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(4-phenylbenzylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NN=CC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N/N=C\C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2S/c1-26-20(25)10-6-3-7-15-22-21(27)24-23-16-17-11-13-19(14-12-17)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H2,22,24,27)/b23-16-