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

Systemtic Name: S-[2-[[1-(2-dimethylaminoethylamino)-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[2-(2-dimethylaminoethylamino)-2-oxo-1-[(4-phenylphenyl)methyl]ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(2-dimethylaminoethylamino)-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(2-dimethylaminoethylamino)-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-(2-dimethylaminoethylamino)-2-keto-1-(4-phenylbenzyl)ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C32H40N4O3S MolecularWeight: 560.75

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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)C3=CC=CC=C3)C(=O)NCCN(C)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NCCN(C)C

InChI

InChI=1S/C32H40N4O3S/c1-25(37)40-23-22-36(20-18-26-10-6-4-7-11-26)32(39)34-30(31(38)33-19-21-35(2)3)24-27-14-16-29(17-15-27)28-12-8-5-9-13-28/h4-17,30H,18-24H2,1-3H3,(H,33,38)(H,34,39)