5-[(4-methylphenyl)amino]-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(4-methylphenyl)amino]-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(4-methylanilino)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(4-methylanilino)-3-[(4-phenyl-1-piperazinyl)methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(4-methylanilino)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-phenylpiperazino)methyl]-5-(p-toluidino)-1,3,4-thiadiazole-2-thione Formula: C20H23N5S2 MolecularWeight: 397.56012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN(C(=S)S2)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN(C(=S)S2)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5S2/c1-16-7-9-17(10-8-16)21-19-22-25(20(26)27-19)15-23-11-13-24(14-12-23)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,22)