1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-[(2R)-2-(4-methylpiperazino)-2-(2-thienyl)ethyl]-3-piperonyl-thiourea Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

CN1CCN(CC1)[C@H](CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C20H26N4O2S2/c1-23-6-8-24(9-7-23)16(19-3-2-10-28-19)13-22-20(27)21-12-15-4-5-17-18(11-15)26-14-25-17/h2-5,10-11,16H,6-9,12-14H2,1H3,(H2,21,22,27)/t16-/m1/s1