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

Systemtic Name: N-[4-[[3-chloranyl-4-(cyclohexylamino)phenyl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[[3-chloro-4-(cyclohexylamino)phenyl]carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[3-chloro-4-(cyclohexylamino)anilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[3-chloro-4-(cyclohexylamino)phenyl]carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[[3-chloro-4-(cyclohexylamino)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)NC3CCCCC3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NC3CCCCC3)Cl

InChI

InChI=1S/C21H25ClN4OS/c1-14(27)23-16-7-9-17(10-8-16)25-21(28)26-18-11-12-20(19(22)13-18)24-15-5-3-2-4-6-15/h7-13,15,24H,2-6H2,1H3,(H,23,27)(H2,25,26,28)