1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-methyl-1-piperidyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-methyl-1-piperidinyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]thiourea Traditional Name: 1-[4-(4-methylpiperidino)phenyl]-3-piperonyl-thiourea Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O2S/c1-15-8-10-24(11-9-15)18-5-3-17(4-6-18)23-21(27)22-13-16-2-7-19-20(12-16)26-14-25-19/h2-7,12,15H,8-11,13-14H2,1H3,(H2,22,23,27)