1-[2-[(3-chloranyl-4-pentoxy-phenyl)methylsulfanyl]ethyl]-3-phenyl-thiourea

Systemtic Name: 1-[2-[(3-chloranyl-4-pentoxy-phenyl)methylsulfanyl]ethyl]-3-phenyl-thiourea Openeye Name: 1-[2-[(3-chloro-4-pentoxy-phenyl)methylsulfanyl]ethyl]-3-phenyl-thiourea CAS Name: 1-[2-[(3-chloro-4-pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea IUPAC Name: 1-[2-[(3-chloro-4-pentoxyphenyl)methylsulfanyl]ethyl]-3-phenylthiourea Traditional Name: 1-[2-[(4-amoxy-3-chloro-benzyl)thio]ethyl]-3-phenyl-thiourea Formula: C21H27ClN2OS2 MolecularWeight: 423.03488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2OS2/c1-2-3-7-13-25-20-11-10-17(15-19(20)22)16-27-14-12-23-21(26)24-18-8-5-4-6-9-18/h4-6,8-11,15H,2-3,7,12-14,16H2,1H3,(H2,23,24,26)