1-[[3-chloranyl-4-(6-methylheptoxy)phenyl]methyl]-3-phenyl-thiourea

Systemtic Name: 1-[[3-chloranyl-4-(6-methylheptoxy)phenyl]methyl]-3-phenyl-thiourea Openeye Name: 1-[[3-chloro-4-(6-methylheptoxy)phenyl]methyl]-3-phenyl-thiourea CAS Name: 1-[[3-chloro-4-(6-methylheptoxy)phenyl]methyl]-3-phenylthiourea IUPAC Name: 1-[[3-chloro-4-(6-methylheptoxy)phenyl]methyl]-3-phenylthiourea Traditional Name: 1-[3-chloro-4-(6-methylheptoxy)benzyl]-3-phenyl-thiourea Formula: C22H29ClN2OS MolecularWeight: 404.99646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC=C2)Cl

Isomeric SMILES

CC(C)CCCCCOC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC=C2)Cl

InChI

InChI=1S/C22H29ClN2OS/c1-17(2)9-5-4-8-14-26-21-13-12-18(15-20(21)23)16-24-22(27)25-19-10-6-3-7-11-19/h3,6-7,10-13,15,17H,4-5,8-9,14,16H2,1-2H3,(H2,24,25,27)