N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylpiperazin-1-yl)propanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylpiperazin-1-yl)propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylpiperazin-1-yl)propanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methyl-1-piperazinyl)propanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylpiperazin-1-yl)propanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylpiperazino)propionamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)CCC(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H21N5O3S/c1-21-6-8-22(9-7-21)5-4-15(23)18-17-20-19-16(26-17)12-2-3-13-14(10-12)25-11-24-13/h2-3,10H,4-9,11H2,1H3,(H,18,20,23)