ethyl 3-[(3-chlorophenyl)carbonylcarbamothioylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[(3-chlorophenyl)carbonylcarbamothioylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-[(3-chlorobenzoyl)carbamothioylamino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-chlorobenzoyl)carbamothioylamino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(3-chlorobenzoyl)thiocarbamoylamino]-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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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)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=S)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H27ClN4O3S/c1-3-27-10-12-28(13-11-27)20-9-8-17(22(30)31-4-2)15-19(20)25-23(32)26-21(29)16-6-5-7-18(24)14-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H2,25,26,29,32)