ethyl 3-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 3-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]butanoate Openeye Name: ethyl 3-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]butanoate CAS Name: 3-[[(2-methoxy-5-phenylanilino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[(2-methoxy-5-phenylphenyl)carbamothioylamino]butanoate Traditional Name: 3-[(2-methoxy-5-phenyl-phenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=S)NC1=C(C=CC(=C1)C2=CC=CC=C2)OC

Isomeric SMILES

CCOC(=O)CC(C)NC(=S)NC1=C(C=CC(=C1)C2=CC=CC=C2)OC

InChI

InChI=1S/C20H24N2O3S/c1-4-25-19(23)12-14(2)21-20(26)22-17-13-16(10-11-18(17)24-3)15-8-6-5-7-9-15/h5-11,13-14H,4,12H2,1-3H3,(H2,21,22,26)