4-[[3-chloranyl-4-(cyclohexylmethylamino)phenyl]carbamothioylamino]benzamide

Systemtic Name: 4-[[3-chloranyl-4-(cyclohexylmethylamino)phenyl]carbamothioylamino]benzamide Openeye Name: 4-[[3-chloro-4-(cyclohexylmethylamino)phenyl]carbamothioylamino]benzamide CAS Name: 4-[[[3-chloro-4-(cyclohexylmethylamino)anilino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-[[3-chloro-4-(cyclohexylmethylamino)phenyl]carbamothioylamino]benzamide Traditional Name: 4-[[3-chloro-4-(cyclohexylmethylamino)phenyl]thiocarbamoylamino]benzamide Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=C(C=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N)Cl

Isomeric SMILES

C1CCC(CC1)CNC2=C(C=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N)Cl

InChI

InChI=1S/C21H25ClN4OS/c22-18-12-17(10-11-19(18)24-13-14-4-2-1-3-5-14)26-21(28)25-16-8-6-15(7-9-16)20(23)27/h6-12,14,24H,1-5,13H2,(H2,23,27)(H2,25,26,28)