ethyl 3-[[2-[(2,6-diethylphenyl)carbamoyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[(2,6-diethylphenyl)carbamoyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[(2,6-diethylphenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[(2,6-diethylanilino)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2,6-diethylphenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[(2,6-diethylphenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NCCC(=O)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NCCC(=O)OCC

InChI

InChI=1S/C20H30N4O3S/c1-4-15-9-7-10-16(5-2)18(15)22-19(26)23-13-8-14-24(23)20(28)21-12-11-17(25)27-6-3/h7,9-10H,4-6,8,11-14H2,1-3H3,(H,21,28)(H,22,26)