S-[2-[[2-dimethylaminoethyl(3-methylbutyl)carbamoyl]amino]-3-phenyl-propyl] ethanethioate

Systemtic Name: S-[2-[[2-dimethylaminoethyl(3-methylbutyl)carbamoyl]amino]-3-phenyl-propyl] ethanethioate Openeye Name: S-[2-[[2-dimethylaminoethyl(isopentyl)carbamoyl]amino]-3-phenyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[2-dimethylaminoethyl(3-methylbutyl)amino]-oxomethyl]amino]-3-phenylpropyl] ester IUPAC Name: S-[2-[[2-dimethylaminoethyl(3-methylbutyl)carbamoyl]amino]-3-phenylpropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-dimethylaminoethyl(isoamyl)carbamoyl]amino]-3-phenyl-propyl] ester Formula: C21H35N3O2S MolecularWeight: 393.5865

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCN(C)C)C(=O)NC(CC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CC(C)CCN(CCN(C)C)C(=O)NC(CC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C21H35N3O2S/c1-17(2)11-12-24(14-13-23(4)5)21(26)22-20(16-27-18(3)25)15-19-9-7-6-8-10-19/h6-10,17,20H,11-16H2,1-5H3,(H,22,26)