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

Systemtic Name: ethyl 2-[2-(octan-2-ylamino)-5-phenylazanyl-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[5-anilino-2-(1-methylheptylamino)phenyl]sulfanylacetate CAS Name: 2-[[5-anilino-2-(octan-2-ylamino)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-anilino-2-(octan-2-ylamino)phenyl]sulfanylacetate Traditional Name: 2-[[5-anilino-2-(1-methylheptylamino)phenyl]thio]acetic acid ethyl ester Formula: C24H34N2O2S MolecularWeight: 414.60396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SCC(=O)OCC

Isomeric SMILES

CCCCCCC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SCC(=O)OCC

InChI

InChI=1S/C24H34N2O2S/c1-4-6-7-9-12-19(3)25-22-16-15-21(26-20-13-10-8-11-14-20)17-23(22)29-18-24(27)28-5-2/h8,10-11,13-17,19,25-26H,4-7,9,12,18H2,1-3H3