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

Systemtic Name: S-[4-[[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]butyl] ethanethioate Openeye Name: S-[4-[[1-benzyl-2-(dimethylamino)-2-oxo-ethyl]carbamoyl-isopentyl-amino]butyl] ethanethioate CAS Name: ethanethioic acid S-[4-[[[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]butyl] ester IUPAC Name: S-[4-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(3-methylbutyl)amino]butyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[[1-benzyl-2-(dimethylamino)-2-keto-ethyl]carbamoyl-isoamyl-amino]butyl] ester Formula: C23H37N3O3S MolecularWeight: 435.62318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCCCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C

Isomeric SMILES

CC(C)CCN(CCCCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C

InChI

InChI=1S/C23H37N3O3S/c1-18(2)13-15-26(14-9-10-16-30-19(3)27)23(29)24-21(22(28)25(4)5)17-20-11-7-6-8-12-20/h6-8,11-12,18,21H,9-10,13-17H2,1-5H3,(H,24,29)