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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)CSCCNC(=S)NC2=CC=CC=C2)Cl

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)CSCCNC(=S)NC2=CC=CC=C2)Cl

InChI

InChI=1S/C21H27ClN2OS2/c1-16(2)10-12-25-20-9-8-17(14-19(20)22)15-27-13-11-23-21(26)24-18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H2,23,24,26)