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

Systemtic Name: 5-[(3-methylphenyl)amino]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3-methylanilino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3-methylanilino)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3-methylanilino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(m-toluidino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C20H24N5S2+ MolecularWeight: 398.56806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

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