ethyl 4-(4-ethylpiperazin-1-yl)-3-(4-methylpentanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-(4-methylpentanoylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-(4-methylpentanoylcarbamothioylamino)benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[[(4-methyl-1-oxopentyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-(4-methylpentanoylcarbamothioylamino)benzoate Traditional Name: 4-(4-ethylpiperazino)-3-(4-methylpentanoylthiocarbamoylamino)benzoic acid ethyl ester Formula: C22H34N4O3S MolecularWeight: 434.59536

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=S)NC(=O)CCC(C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=S)NC(=O)CCC(C)C

InChI

InChI=1S/C22H34N4O3S/c1-5-25-11-13-26(14-12-25)19-9-8-17(21(28)29-6-2)15-18(19)23-22(30)24-20(27)10-7-16(3)4/h8-9,15-16H,5-7,10-14H2,1-4H3,(H2,23,24,27,30)