methyl 2-[[2-[(2,6-diethylphenyl)carbamoyl]pyrazolidin-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[2-[(2,6-diethylphenyl)carbamoyl]pyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[2-[(2,6-diethylphenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[(2,6-diethylanilino)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(2,6-diethylphenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-[(2,6-diethylphenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]acetic acid methyl ester Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NCC(=O)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NCC(=O)OC

InChI

InChI=1S/C18H26N4O3S/c1-4-13-8-6-9-14(5-2)16(13)20-17(24)21-10-7-11-22(21)18(26)19-12-15(23)25-3/h6,8-9H,4-5,7,10-12H2,1-3H3,(H,19,26)(H,20,24)