S-[2-[[2-dimethylaminoethyl(3-methylbutyl)carbamoyl]amino]-3-(4-phenylphenyl)propyl] ethanethioate

Systemtic Name: S-[2-[[2-dimethylaminoethyl(3-methylbutyl)carbamoyl]amino]-3-(4-phenylphenyl)propyl] ethanethioate Openeye Name: S-[2-[[2-dimethylaminoethyl(isopentyl)carbamoyl]amino]-3-(4-phenylphenyl)propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[2-dimethylaminoethyl(3-methylbutyl)amino]-oxomethyl]amino]-3-(4-phenylphenyl)propyl] ester IUPAC Name: S-[2-[[2-dimethylaminoethyl(3-methylbutyl)carbamoyl]amino]-3-(4-phenylphenyl)propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-dimethylaminoethyl(isoamyl)carbamoyl]amino]-3-(4-phenylphenyl)propyl] ester Formula: C27H39N3O2S MolecularWeight: 469.68246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCN(C)C)C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)CSC(=O)C

Isomeric SMILES

CC(C)CCN(CCN(C)C)C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)CSC(=O)C

InChI

InChI=1S/C27H39N3O2S/c1-21(2)15-16-30(18-17-29(4)5)27(32)28-26(20-33-22(3)31)19-23-11-13-25(14-12-23)24-9-7-6-8-10-24/h6-14,21,26H,15-20H2,1-5H3,(H,28,32)