N-[4-[[3-chloranyl-4-(cyclohexylmethylamino)phenyl]carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[3-chloranyl-4-(cyclohexylmethylamino)phenyl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[[3-chloro-4-(cyclohexylmethylamino)phenyl]carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[3-chloro-4-(cyclohexylmethylamino)anilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[3-chloro-4-(cyclohexylmethylamino)phenyl]carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[[3-chloro-4-(cyclohexylmethylamino)phenyl]thiocarbamoylamino]phenyl]acetamide Formula: C22H27ClN4OS MolecularWeight: 430.99398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NCC3CCCCC3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NCC3CCCCC3)Cl

InChI

InChI=1S/C22H27ClN4OS/c1-15(28)25-17-7-9-18(10-8-17)26-22(29)27-19-11-12-21(20(23)13-19)24-14-16-5-3-2-4-6-16/h7-13,16,24H,2-6,14H2,1H3,(H,25,28)(H2,26,27,29)