S-[2-[[1-(2-dimethylaminoethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[1-(2-dimethylaminoethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-(2-dimethylaminoethylamino)-2-oxo-ethyl]carbamoyl-isopentyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(2-dimethylaminoethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]ethyl] ester IUPAC Name: S-[2-[[1-(2-dimethylaminoethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-(2-dimethylaminoethylamino)-2-keto-ethyl]carbamoyl-isoamyl-amino]ethyl] ester Formula: C23H38N4O3S MolecularWeight: 450.63782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NCCN(C)C

Isomeric SMILES

CC(C)CCN(CCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NCCN(C)C

InChI

InChI=1S/C23H38N4O3S/c1-18(2)11-13-27(15-16-31-19(3)28)23(30)25-21(17-20-9-7-6-8-10-20)22(29)24-12-14-26(4)5/h6-10,18,21H,11-17H2,1-5H3,(H,24,29)(H,25,30)