N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-phenylpropyl)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-phenylpropyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-phenylpropyl)thiadiazole-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-phenylpropyl)-4-thiadiazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-phenylpropyl)thiadiazole-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-phenylpropyl)thiadiazole-4-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CN(CCCC3=CC=CC=C3)C(=O)C4=CSN=N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CN(CCCC3=CC=CC=C3)C(=O)C4=CSN=N4

InChI

InChI=1S/C21H21N3O3S/c25-21(18-15-28-23-22-18)24(10-4-7-16-5-2-1-3-6-16)14-17-8-9-19-20(13-17)27-12-11-26-19/h1-3,5-6,8-9,13,15H,4,7,10-12,14H2