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

Systemtic Name: 3-[(4-phenylpiperazin-1-yl)methyl]-5-[(4-propan-2-ylphenyl)amino]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(4-isopropylanilino)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[(4-phenyl-1-piperazinyl)methyl]-5-(4-propan-2-ylanilino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[(4-phenylpiperazin-1-yl)methyl]-5-(4-propan-2-ylanilino)-1,3,4-thiadiazole-2-thione Traditional Name: 5-cumidino-3-[(4-phenylpiperazino)methyl]-1,3,4-thiadiazole-2-thione Formula: C22H27N5S2 MolecularWeight: 425.61328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5S2/c1-17(2)18-8-10-19(11-9-18)23-21-24-27(22(28)29-21)16-25-12-14-26(15-13-25)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3,(H,23,24)