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

Systemtic Name: S-[2-[[1-(2-dimethylaminoethylamino)-1-oxidanylidene-3-(4-propan-2-yloxyphenyl)propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[2-(2-dimethylaminoethylamino)-1-[(4-isopropoxyphenyl)methyl]-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(2-dimethylaminoethylamino)-1-oxo-3-(4-propan-2-yloxyphenyl)propan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(2-dimethylaminoethylamino)-1-oxo-3-(4-propan-2-yloxyphenyl)propan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-(2-dimethylaminoethylamino)-1-(4-isopropoxybenzyl)-2-keto-ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C29H42N4O4S MolecularWeight: 542.73318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CC(C(=O)NCCN(C)C)NC(=O)N(CCC2=CC=CC=C2)CCSC(=O)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CC(C(=O)NCCN(C)C)NC(=O)N(CCC2=CC=CC=C2)CCSC(=O)C

InChI

InChI=1S/C29H42N4O4S/c1-22(2)37-26-13-11-25(12-14-26)21-27(28(35)30-16-18-32(4)5)31-29(36)33(19-20-38-23(3)34)17-15-24-9-7-6-8-10-24/h6-14,22,27H,15-21H2,1-5H3,(H,30,35)(H,31,36)