4-[[2,3-bis(chloranyl)phenyl]carbamothioylamino]-N,N-diethyl-1-methyl-3-oxidanylidene-2H-pyrrole-2-carboxamide

Systemtic Name: 4-[[2,3-bis(chloranyl)phenyl]carbamothioylamino]-N,N-diethyl-1-methyl-3-oxidanylidene-2H-pyrrole-2-carboxamide Openeye Name: 4-[(2,3-dichlorophenyl)carbamothioylamino]-N,N-diethyl-1-methyl-3-oxo-2H-pyrrole-2-carboxamide CAS Name: 4-[[(2,3-dichloroanilino)-sulfanylidenemethyl]amino]-N,N-diethyl-1-methyl-3-oxo-2H-pyrrole-2-carboxamide IUPAC Name: 4-[(2,3-dichlorophenyl)carbamothioylamino]-N,N-diethyl-1-methyl-3-oxo-2H-pyrrole-2-carboxamide Traditional Name: 4-[(2,3-dichlorophenyl)thiocarbamoylamino]-N,N-diethyl-3-keto-1-methyl-2-pyrroline-2-carboxamide Formula: C17H20Cl2N4O2S MolecularWeight: 415.3373

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1C(=O)C(=CN1C)NC(=S)NC2=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

CCN(CC)C(=O)C1C(=O)C(=CN1C)NC(=S)NC2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C17H20Cl2N4O2S/c1-4-23(5-2)16(25)14-15(24)12(9-22(14)3)21-17(26)20-11-8-6-7-10(18)13(11)19/h6-9,14H,4-5H2,1-3H3,(H2,20,21,26)