S-[2-[2-azanylethanoyl(2-dimethylaminoethyl)carbamoyl]-4-methyl-pentyl] ethanethioate

Systemtic Name: S-[2-[2-azanylethanoyl(2-dimethylaminoethyl)carbamoyl]-4-methyl-pentyl] ethanethioate Openeye Name: S-[2-[(2-aminoacetyl)-(2-dimethylaminoethyl)carbamoyl]-4-methyl-pentyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[(2-amino-1-oxoethyl)-(2-dimethylaminoethyl)amino]-oxomethyl]-4-methylpentyl] ester IUPAC Name: S-[2-[(2-aminoacetyl)-(2-dimethylaminoethyl)carbamoyl]-4-methylpentyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-dimethylaminoethyl(glycyl)carbamoyl]-4-methyl-pentyl] ester Formula: C15H29N3O3S MolecularWeight: 331.47406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSC(=O)C)C(=O)N(CCN(C)C)C(=O)CN

Isomeric SMILES

CC(C)CC(CSC(=O)C)C(=O)N(CCN(C)C)C(=O)CN

InChI

InChI=1S/C15H29N3O3S/c1-11(2)8-13(10-22-12(3)19)15(21)18(14(20)9-16)7-6-17(4)5/h11,13H,6-10,16H2,1-5H3