ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[[4-(phenylmethyl)piperazin-1-yl]carbothioylsulfanylmethyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[[4-(phenylmethyl)piperazin-1-yl]carbothioylsulfanylmethyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(4-benzylpiperazine-1-carbothioyl)sulfanylmethyl]pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4-[[[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]thio]methyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(4-benzylpiperazine-1-carbothioyl)sulfanylmethyl]pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-[[(4-benzylpiperazine-1-carbothioyl)thio]methyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C27H28N6O2S3 MolecularWeight: 564.74522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CSC(=S)N2CCN(CC2)CC3=CC=CC=C3)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CSC(=S)N2CCN(CC2)CC3=CC=CC=C3)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H28N6O2S3/c1-2-35-24(34)20-16-28-25(31-26-30-21-10-6-7-11-23(21)38-26)29-22(20)18-37-27(36)33-14-12-32(13-15-33)17-19-8-4-3-5-9-19/h3-11,16H,2,12-15,17-18H2,1H3,(H,28,29,30,31)