N-(1,3-benzodioxol-4-ylmethyl)-N-(4-phenylbutan-2-yl)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(4-phenylbutan-2-yl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(1-methyl-3-phenyl-propyl)thiadiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(4-phenylbutan-2-yl)-4-thiadiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(4-phenylbutan-2-yl)thiadiazole-4-carboxamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(1-methyl-3-phenyl-propyl)thiadiazole-4-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N(CC2=C3C(=CC=C2)OCO3)C(=O)C4=CSN=N4

Isomeric SMILES

CC(CCC1=CC=CC=C1)N(CC2=C3C(=CC=C2)OCO3)C(=O)C4=CSN=N4

InChI

InChI=1S/C21H21N3O3S/c1-15(10-11-16-6-3-2-4-7-16)24(21(25)18-13-28-23-22-18)12-17-8-5-9-19-20(17)27-14-26-19/h2-9,13,15H,10-12,14H2,1H3