methyl 3-[2-(4-methylpentan-2-ylamino)-5-phenylazanyl-phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(4-methylpentan-2-ylamino)-5-phenylazanyl-phenyl]sulfanylpropanoate Openeye Name: methyl 3-[5-anilino-2-(1,3-dimethylbutylamino)phenyl]sulfanylpropanoate CAS Name: 3-[[5-anilino-2-(4-methylpentan-2-ylamino)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[5-anilino-2-(4-methylpentan-2-ylamino)phenyl]sulfanylpropanoate Traditional Name: 3-[[5-anilino-2-(1,3-dimethylbutylamino)phenyl]thio]propionic acid methyl ester Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SCCC(=O)OC

Isomeric SMILES

CC(C)CC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SCCC(=O)OC

InChI

InChI=1S/C22H30N2O2S/c1-16(2)14-17(3)23-20-11-10-19(24-18-8-6-5-7-9-18)15-21(20)27-13-12-22(25)26-4/h5-11,15-17,23-24H,12-14H2,1-4H3