ethyl 2-[2-(4-methylpentan-2-ylamino)-5-phenylazanyl-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-(4-methylpentan-2-ylamino)-5-phenylazanyl-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[5-anilino-2-(1,3-dimethylbutylamino)phenyl]sulfanylacetate CAS Name: 2-[[5-anilino-2-(4-methylpentan-2-ylamino)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-anilino-2-(4-methylpentan-2-ylamino)phenyl]sulfanylacetate Traditional Name: 2-[[5-anilino-2-(1,3-dimethylbutylamino)phenyl]thio]acetic acid ethyl ester Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=CC(=C1)NC2=CC=CC=C2)NC(C)CC(C)C

Isomeric SMILES

CCOC(=O)CSC1=C(C=CC(=C1)NC2=CC=CC=C2)NC(C)CC(C)C

InChI

InChI=1S/C22H30N2O2S/c1-5-26-22(25)15-27-21-14-19(24-18-9-7-6-8-10-18)11-12-20(21)23-17(4)13-16(2)3/h6-12,14,16-17,23-24H,5,13,15H2,1-4H3