S-[2-[[1-(2-dimethylaminoethylamino)-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[1-(2-dimethylaminoethylamino)-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[2-(2-dimethylaminoethylamino)-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(2-dimethylaminoethylamino)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(2-dimethylaminoethylamino)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-(2-dimethylaminoethylamino)-2-keto-1-p-anisyl-ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C27H38N4O4S MolecularWeight: 514.68002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)NCCN(C)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)NCCN(C)C

InChI

InChI=1S/C27H38N4O4S/c1-21(32)36-19-18-31(16-14-22-8-6-5-7-9-22)27(34)29-25(26(33)28-15-17-30(2)3)20-23-10-12-24(35-4)13-11-23/h5-13,25H,14-20H2,1-4H3,(H,28,33)(H,29,34)