3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-(propylamino)-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-(propylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-(propylamino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-5-(propylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-(propylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-o-phenetylpiperazino)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-thione Formula: C18H27N5OS2 MolecularWeight: 393.56988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN(C(=S)S1)CN2CCN(CC2)C3=CC=CC=C3OCC

Isomeric SMILES

CCCNC1=NN(C(=S)S1)CN2CCN(CC2)C3=CC=CC=C3OCC

InChI

InChI=1S/C18H27N5OS2/c1-3-9-19-17-20-23(18(25)26-17)14-21-10-12-22(13-11-21)15-7-5-6-8-16(15)24-4-2/h5-8H,3-4,9-14H2,1-2H3,(H,19,20)