S-[2-[[6-[(3-bromophenyl)amino]-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[[6-[(3-bromophenyl)amino]-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[[6-(3-bromoanilino)-6-oxo-hexyl]amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[6-(3-bromoanilino)-6-oxohexyl]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[[6-(3-bromoanilino)-6-oxohexyl]amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[6-(3-bromoanilino)-6-keto-hexyl]amino]-2-keto-ethyl] ester Formula: C16H21BrN2O3S MolecularWeight: 401.31854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NCCCCCC(=O)NC1=CC(=CC=C1)Br

Isomeric SMILES

CC(=O)SCC(=O)NCCCCCC(=O)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C16H21BrN2O3S/c1-12(20)23-11-16(22)18-9-4-2-3-8-15(21)19-14-7-5-6-13(17)10-14/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,22)(H,19,21)