S-[3-oxidanylidene-3-(7-phenoxyheptylamino)-2-(phenylmethyl)propyl] ethanethioate

Systemtic Name: S-[3-oxidanylidene-3-(7-phenoxyheptylamino)-2-(phenylmethyl)propyl] ethanethioate Openeye Name: S-[2-benzyl-3-oxo-3-(7-phenoxyheptylamino)propyl] ethanethioate CAS Name: ethanethioic acid S-[3-oxo-3-(7-phenoxyheptylamino)-2-(phenylmethyl)propyl] ester IUPAC Name: S-[2-benzyl-3-oxo-3-(7-phenoxyheptylamino)propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-benzyl-3-keto-3-(7-phenoxyheptylamino)propyl] ester Formula: C25H33NO3S MolecularWeight: 427.59942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCCCCCCCOC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCCCCCCCOC2=CC=CC=C2

InChI

InChI=1S/C25H33NO3S/c1-21(27)30-20-23(19-22-13-7-5-8-14-22)25(28)26-17-11-3-2-4-12-18-29-24-15-9-6-10-16-24/h5-10,13-16,23H,2-4,11-12,17-20H2,1H3,(H,26,28)