1-(3,5-dimethoxyphenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(3,5-dimethoxyphenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(3,5-dimethoxyphenyl)-3-[4-(1-piperidylmethyl)phenyl]thiourea CAS Name: 1-(3,5-dimethoxyphenyl)-3-[4-(1-piperidinylmethyl)phenyl]thiourea IUPAC Name: 1-(3,5-dimethoxyphenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(3,5-dimethoxyphenyl)-3-[4-(piperidinomethyl)phenyl]thiourea Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3)OC

InChI

InChI=1S/C21H27N3O2S/c1-25-19-12-18(13-20(14-19)26-2)23-21(27)22-17-8-6-16(7-9-17)15-24-10-4-3-5-11-24/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H2,22,23,27)