(1E)-1-[[[2-(chloromethyl)phenyl]amino]-phenyl-methylidene]-3-cyclohexyl-thiourea

Systemtic Name: (1E)-1-[[[2-(chloromethyl)phenyl]amino]-phenyl-methylidene]-3-cyclohexyl-thiourea Openeye Name: (1E)-1-[[2-(chloromethyl)anilino]-phenyl-methylene]-3-cyclohexyl-thiourea CAS Name: (1E)-1-[[2-(chloromethyl)anilino]-phenylmethylidene]-3-cyclohexylthiourea IUPAC Name: (1E)-1-[[2-(chloromethyl)anilino]-phenylmethylidene]-3-cyclohexylthiourea Traditional Name: (1E)-1-[[2-(chloromethyl)anilino]-phenyl-methylene]-3-cyclohexyl-thiourea Formula: C21H24ClN3S MolecularWeight: 385.95336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N=C(C2=CC=CC=C2)NC3=CC=CC=C3CCl

Isomeric SMILES

C1CCC(CC1)NC(=S)/N=C(\C2=CC=CC=C2)/NC3=CC=CC=C3CCl

InChI

InChI=1S/C21H24ClN3S/c22-15-17-11-7-8-14-19(17)24-20(16-9-3-1-4-10-16)25-21(26)23-18-12-5-2-6-13-18/h1,3-4,7-11,14,18H,2,5-6,12-13,15H2,(H2,23,24,25,26)