methyl 6-[(3-phenylazanylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(3-phenylazanylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(3-anilinophenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(3-anilinoanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-anilinophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(3-anilinophenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=CC(=C1)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=CC(=C1)NC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O2S/c1-25-19(24)13-6-3-7-14-21-20(26)23-18-12-8-11-17(15-18)22-16-9-4-2-5-10-16/h2,4-5,8-12,15,22H,3,6-7,13-14H2,1H3,(H2,21,23,26)