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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-ethylpiperazin-1-yl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-ethylpiperazin-1-yl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-ethyl-1-piperazinyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-ethylpiperazin-1-yl)phenyl]thiourea Traditional Name: 1-[4-(4-ethylpiperazino)phenyl]-3-piperonyl-thiourea Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O2S/c1-2-24-9-11-25(12-10-24)18-6-4-17(5-7-18)23-21(28)22-14-16-3-8-19-20(13-16)27-15-26-19/h3-8,13H,2,9-12,14-15H2,1H3,(H2,22,23,28)