N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(4-ethyl-1-piperazinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide Traditional Name: 1-[5-(4-ethylpiperazino)-1,3,4-thiadiazol-2-yl]-N-piperonyl-pyrrole-2-carboxamide Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1CCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H24N6O3S/c1-2-25-8-10-26(11-9-25)20-23-24-21(31-20)27-7-3-4-16(27)19(28)22-13-15-5-6-17-18(12-15)30-14-29-17/h3-7,12H,2,8-11,13-14H2,1H3,(H,22,28)