methyl 2-[[4-[3-(diethylamino)propylcarbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-[3-(diethylamino)propylcarbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[3-(diethylamino)propylcarbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[[3-(diethylamino)propylamino]-sulfanylidenemethyl]amino]-3,5-dimethyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(diethylamino)propylcarbamothioylamino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-[3-(diethylamino)propylthiocarbamoylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C22H33N5O2S MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=S)NC1=C(N(N=C1C)CC2=CC=CC=C2C(=O)OC)C

Isomeric SMILES

CCN(CC)CCCNC(=S)NC1=C(N(N=C1C)CC2=CC=CC=C2C(=O)OC)C

InChI

InChI=1S/C22H33N5O2S/c1-6-26(7-2)14-10-13-23-22(30)24-20-16(3)25-27(17(20)4)15-18-11-8-9-12-19(18)21(28)29-5/h8-9,11-12H,6-7,10,13-15H2,1-5H3,(H2,23,24,30)