N-(1,3-benzodioxol-5-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-1-methyl-3-phenyl-propyl]thiadiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-4-thiadiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]thiadiazole-4-carboxamide Traditional Name: N-[(1R)-1-methyl-3-phenyl-propyl]-N-piperonyl-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=CC3=C(C=C2)OCO3)C(=O)C4=CSN=N4

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSN=N4

InChI

InChI=1S/C21H21N3O3S/c1-15(7-8-16-5-3-2-4-6-16)24(21(25)18-13-28-23-22-18)12-17-9-10-19-20(11-17)27-14-26-19/h2-6,9-11,13,15H,7-8,12,14H2,1H3/t15-/m1/s1