5-(tert-butylamino)-3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(tert-butylamino)-3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(tert-butylamino)-3-[[4-(2-naphthylsulfonyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(tert-butylamino)-3-[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(tert-butylamino)-3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(tert-butylamino)-3-[[4-(2-naphthylsulfonyl)piperazino]methyl]-1,3,4-thiadiazole-2-thione Formula: C21H27N5O2S3 MolecularWeight: 477.66638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN(C(=S)S1)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)NC1=NN(C(=S)S1)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H27N5O2S3/c1-21(2,3)22-19-23-26(20(29)30-19)15-24-10-12-25(13-11-24)31(27,28)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14H,10-13,15H2,1-3H3,(H,22,23)