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

Systemtic Name: 1-(3-methoxyphenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(3-methoxyphenyl)-3-(2-methoxy-5-piperidinosulfonyl-phenyl)thiourea Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H25N3O4S2/c1-26-16-8-6-7-15(13-16)21-20(28)22-18-14-17(9-10-19(18)27-2)29(24,25)23-11-4-3-5-12-23/h6-10,13-14H,3-5,11-12H2,1-2H3,(H2,21,22,28)