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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(1,3-benzodioxol-5-ylmethyl)pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(1,3-benzodioxol-5-ylmethyl)pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-(1,3-benzodioxol-5-ylmethyl)-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(1,3-benzodioxol-5-ylmethyl)pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-piperonyl-pyrrole-2-carboxamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H23N5O3S/c27-19(22-13-15-7-8-17-18(12-15)29-14-28-17)16-6-5-11-26(16)21-24-23-20(30-21)25-9-3-1-2-4-10-25/h5-8,11-12H,1-4,9-10,13-14H2,(H,22,27)