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

Systemtic Name: 5-(tert-butylamino)-3-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(tert-butylamino)-3-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(tert-butylamino)-3-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(tert-butylamino)-3-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(tert-butylamino)-3-[(4-p-phenetylsulfonylpiperazino)methyl]-1,3,4-thiadiazole-2-thione Formula: C19H29N5O3S3 MolecularWeight: 471.66026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)SC(=N3)NC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)SC(=N3)NC(C)(C)C

InChI

InChI=1S/C19H29N5O3S3/c1-5-27-15-6-8-16(9-7-15)30(25,26)23-12-10-22(11-13-23)14-24-18(28)29-17(21-24)20-19(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,20,21)