1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H28N5OS2+ MolecularWeight: 442.62062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+](C)CC3=NC4=CC=CC=C4S3)C(=N1)C(=O)N5CCSCC5

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH+](C)CC3=NC4=CC=CC=C4S3)C(=N1)C(=O)N5CCSCC5

InChI

InChI=1S/C22H27N5OS2/c1-25(14-20-23-17-5-3-4-6-19(17)30-20)15-7-8-18-16(13-15)21(24-26(18)2)22(28)27-9-11-29-12-10-27/h3-6,15H,7-14H2,1-2H3/p+1/t15-/m0/s1