1,1-bis[(E)-4-(4-chloranyl-3-methyl-phenoxy)but-2-enyl]-3-phenyl-thiourea

Systemtic Name: 1,1-bis[(E)-4-(4-chloranyl-3-methyl-phenoxy)but-2-enyl]-3-phenyl-thiourea Openeye Name: 1,1-bis[(E)-4-(4-chloro-3-methyl-phenoxy)but-2-enyl]-3-phenyl-thiourea CAS Name: 1,1-bis[(E)-4-(4-chloro-3-methylphenoxy)but-2-enyl]-3-phenylthiourea IUPAC Name: 1,1-bis[(E)-4-(4-chloro-3-methylphenoxy)but-2-enyl]-3-phenylthiourea Traditional Name: 1,1-bis[(E)-4-(4-chloro-3-methyl-phenoxy)but-2-enyl]-3-phenyl-thiourea Formula: C29H30Cl2N2O2S MolecularWeight: 541.5317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC=CCN(CC=CCOC2=CC(=C(C=C2)Cl)C)C(=S)NC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC/C=C/CN(C(=S)NC2=CC=CC=C2)C/C=C/COC3=CC(=C(C=C3)Cl)C)Cl

InChI

InChI=1S/C29H30Cl2N2O2S/c1-22-20-25(12-14-27(22)30)34-18-8-6-16-33(29(36)32-24-10-4-3-5-11-24)17-7-9-19-35-26-13-15-28(31)23(2)21-26/h3-15,20-21H,16-19H2,1-2H3,(H,32,36)/b8-6+,9-7+