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

Systemtic Name: 1-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-benzyl-3-(2-methoxy-5-piperidinosulfonyl-phenyl)thiourea Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-26-19-11-10-17(28(24,25)23-12-6-3-7-13-23)14-18(19)22-20(27)21-15-16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H2,21,22,27)