methyl 6-[[[3-(4-methylphenyl)thiophen-2-yl]carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[[3-(4-methylphenyl)thiophen-2-yl]carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[[3-(p-tolyl)thiophene-2-carbonyl]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[[3-(4-methylphenyl)-2-thiophenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]carbamothioylamino]hexanoate Traditional Name: 6-[[[3-(p-tolyl)thiophene-2-carbonyl]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)NNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C20H25N3O3S2/c1-14-7-9-15(10-8-14)16-11-13-28-18(16)19(25)22-23-20(27)21-12-5-3-4-6-17(24)26-2/h7-11,13H,3-6,12H2,1-2H3,(H,22,25)(H2,21,23,27)