1-[[3-chloranyl-4-(5-methylhexoxy)phenyl]methyl]-3-phenyl-thiourea

Systemtic Name: 1-[[3-chloranyl-4-(5-methylhexoxy)phenyl]methyl]-3-phenyl-thiourea Openeye Name: 1-[[3-chloro-4-(5-methylhexoxy)phenyl]methyl]-3-phenyl-thiourea CAS Name: 1-[[3-chloro-4-(5-methylhexoxy)phenyl]methyl]-3-phenylthiourea IUPAC Name: 1-[[3-chloro-4-(5-methylhexoxy)phenyl]methyl]-3-phenylthiourea Traditional Name: 1-[3-chloro-4-(5-methylhexoxy)benzyl]-3-phenyl-thiourea Formula: C21H27ClN2OS MolecularWeight: 390.96988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCOC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC=C2)Cl

Isomeric SMILES

CC(C)CCCCOC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC=C2)Cl

InChI

InChI=1S/C21H27ClN2OS/c1-16(2)8-6-7-13-25-20-12-11-17(14-19(20)22)15-23-21(26)24-18-9-4-3-5-10-18/h3-5,9-12,14,16H,6-8,13,15H2,1-2H3,(H2,23,24,26)