3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-5-(tert-butylamino)-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-5-(tert-butylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-5-(tert-butylamino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-5-(tert-butylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-5-(tert-butylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-5-(tert-butylamino)-1,3,4-thiadiazole-2-thione Formula: C17H32N6O2S3 MolecularWeight: 448.66998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN(C(=S)S1)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)NC1=NN(C(=S)S1)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H32N6O2S3/c1-17(2,3)18-15-19-23(16(26)27-15)14-20-10-12-22(13-11-20)28(24,25)21-8-6-4-5-7-9-21/h4-14H2,1-3H3,(H,18,19)