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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-methyl-1-piperazinyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]thiourea Traditional Name: 1-[4-(4-methylpiperazino)phenyl]-3-piperonyl-thiourea Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N4O2S/c1-23-8-10-24(11-9-23)17-5-3-16(4-6-17)22-20(27)21-13-15-2-7-18-19(12-15)26-14-25-18/h2-7,12H,8-11,13-14H2,1H3,(H2,21,22,27)