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

Systemtic Name: S-[2-[[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-(dimethylamino)-2-oxo-ethyl]carbamoyl-isopentyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]ethyl] ester IUPAC Name: S-[2-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(3-methylbutyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-(dimethylamino)-2-keto-ethyl]carbamoyl-isoamyl-amino]ethyl] ester Formula: C21H33N3O3S MolecularWeight: 407.57002

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-16(2)11-12-24(13-14-28-17(3)25)21(27)22-19(20(26)23(4)5)15-18-9-7-6-8-10-18/h6-10,16,19H,11-15H2,1-5H3,(H,22,27)