3-chloranyl-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H25ClN4O2S MolecularWeight: 432.9668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H25ClN4O2S/c1-3-26(4-2)13-12-23-19(27)15-8-10-18(11-9-15)24-21(29)25-20(28)16-6-5-7-17(22)14-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,23,27)(H2,24,25,28,29)