methyl 6-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2-methoxy-5-phenylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-methoxy-5-phenylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-methoxy-5-phenyl-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C21H26N2O3S/c1-25-19-13-12-17(16-9-5-3-6-10-16)15-18(19)23-21(27)22-14-8-4-7-11-20(24)26-2/h3,5-6,9-10,12-13,15H,4,7-8,11,14H2,1-2H3,(H2,22,23,27)