4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-cyclohexyl-piperazine-1-carbothioamide

Systemtic Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-cyclohexyl-piperazine-1-carbothioamide Openeye Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-cyclohexyl-piperazine-1-carbothioamide CAS Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-cyclohexyl-1-piperazinecarbothioamide IUPAC Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-cyclohexylpiperazine-1-carbothioamide Traditional Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-s-triazin-2-yl]-N-cyclohexyl-piperazine-1-carbothioamide Formula: C30H37N9S2 MolecularWeight: 587.80508

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC(=NC(=N1)NC2=CC3=C(C=C2)N=CS3)N4CCN(CC4)C(=S)NC5CCCCC5)C6=CC=CC=C6

Isomeric SMILES

CC(CNC1=NC(=NC(=N1)NC2=CC3=C(C=C2)N=CS3)N4CCN(CC4)C(=S)NC5CCCCC5)C6=CC=CC=C6

InChI

InChI=1S/C30H37N9S2/c1-21(22-8-4-2-5-9-22)19-31-27-35-28(33-24-12-13-25-26(18-24)41-20-32-25)37-29(36-27)38-14-16-39(17-15-38)30(40)34-23-10-6-3-7-11-23/h2,4-5,8-9,12-13,18,20-21,23H,3,6-7,10-11,14-17,19H2,1H3,(H,34,40)(H2,31,33,35,36,37)