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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NCC3CCCC3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NCC3CCCC3)Cl

InChI

InChI=1S/C21H25ClN4OS/c1-14(27)24-16-6-8-17(9-7-16)25-21(28)26-18-10-11-20(19(22)12-18)23-13-15-4-2-3-5-15/h6-12,15,23H,2-5,13H2,1H3,(H,24,27)(H2,25,26,28)