methyl 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 4-(4-methylpiperazino)-3-(pivaloylthiocarbamoylamino)benzoic acid methyl ester Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C

InChI

InChI=1S/C19H28N4O3S/c1-19(2,3)17(25)21-18(27)20-14-12-13(16(24)26-5)6-7-15(14)23-10-8-22(4)9-11-23/h6-7,12H,8-11H2,1-5H3,(H2,20,21,25,27)