octyl 3-[dimethylamino(phenylcarbamothioyl)amino]propanoate

Systemtic Name: octyl 3-[dimethylamino(phenylcarbamothioyl)amino]propanoate Openeye Name: octyl 3-[dimethylamino(phenylcarbamothioyl)amino]propanoate CAS Name: 3-[[anilino(sulfanylidene)methyl]-(dimethylamino)amino]propanoic acid octyl ester IUPAC Name: octyl 3-[dimethylamino(phenylcarbamothioyl)amino]propanoate Traditional Name: 3-[dimethylamino(phenylthiocarbamoyl)amino]propionic acid octyl ester Formula: C20H33N3O2S MolecularWeight: 379.55992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCN(C(=S)NC1=CC=CC=C1)N(C)C

Isomeric SMILES

CCCCCCCCOC(=O)CCN(C(=S)NC1=CC=CC=C1)N(C)C

InChI

InChI=1S/C20H33N3O2S/c1-4-5-6-7-8-12-17-25-19(24)15-16-23(22(2)3)20(26)21-18-13-10-9-11-14-18/h9-11,13-14H,4-8,12,15-17H2,1-3H3,(H,21,26)