1-[2-methoxy-5-(phenylsulfonyl)phenyl]-3-phenethyl-thiourea

Systemtic Name: 1-[2-methoxy-5-(phenylsulfonyl)phenyl]-3-phenethyl-thiourea Openeye Name: 1-[5-(benzenesulfonyl)-2-methoxy-phenyl]-3-phenethyl-thiourea CAS Name: 1-[5-(benzenesulfonyl)-2-methoxyphenyl]-3-phenethylthiourea IUPAC Name: 1-[5-(benzenesulfonyl)-2-methoxyphenyl]-3-phenethylthiourea Traditional Name: 1-(5-besyl-2-methoxy-phenyl)-3-phenethyl-thiourea Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S2/c1-27-21-13-12-19(29(25,26)18-10-6-3-7-11-18)16-20(21)24-22(28)23-15-14-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H2,23,24,28)