1,3-benzothiazol-2-ylmethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C25H28N5OS+ MolecularWeight: 446.58772

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)[NH2+]CC3=NC4=CC=CC=C4S3)CCC5=CC=CC=C5

Isomeric SMILES

CNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH2+]CC3=NC4=CC=CC=C4S3)CCC5=CC=CC=C5

InChI

InChI=1S/C25H27N5OS/c1-26-25(31)24-19-15-18(27-16-23-28-20-9-5-6-10-22(20)32-23)11-12-21(19)30(29-24)14-13-17-7-3-2-4-8-17/h2-10,18,27H,11-16H2,1H3,(H,26,31)/p+1/t18-/m0/s1