S-[2-[[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]-4-phenyl-butyl] ethanethioate

Systemtic Name: S-[2-[[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]-4-phenyl-butyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-(dimethylamino)-2-oxo-ethyl]carbamoyl-isopentyl-amino]-4-phenyl-butyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]-4-phenylbutyl] ester IUPAC Name: S-[2-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(3-methylbutyl)amino]-4-phenylbutyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-(dimethylamino)-2-keto-ethyl]carbamoyl-isoamyl-amino]-4-phenyl-butyl] ester Formula: C29H41N3O3S MolecularWeight: 511.71914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(CCC1=CC=CC=C1)CSC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(=O)N(C)C

Isomeric SMILES

CC(C)CCN(C(CCC1=CC=CC=C1)CSC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(=O)N(C)C

InChI

InChI=1S/C29H41N3O3S/c1-22(2)18-19-32(26(21-36-23(3)33)17-16-24-12-8-6-9-13-24)29(35)30-27(28(34)31(4)5)20-25-14-10-7-11-15-25/h6-15,22,26-27H,16-21H2,1-5H3,(H,30,35)