1-(2-phenoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(2-phenoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[2-phenoxy-5-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[2-phenoxy-5-(1-piperidinylsulfonyl)phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-benzyl-3-(2-phenoxy-5-piperidinosulfonyl-phenyl)thiourea Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)NC(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S2/c29-33(30,28-16-8-3-9-17-28)22-14-15-24(31-21-12-6-2-7-13-21)23(18-22)27-25(32)26-19-20-10-4-1-5-11-20/h1-2,4-7,10-15,18H,3,8-9,16-17,19H2,(H2,26,27,32)