N-[(2S)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-[[1-(2-pyridyl)cyclohexyl]methylamino]ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[1-(2-pyridinyl)cyclohexyl]methylamino]propan-2-yl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-1-methyl-2-[[1-(2-pyridyl)cyclohexyl]methylamino]ethyl]-1,3-benzothiazole-6-carboxamide Formula: C32H33N5O2S MolecularWeight: 551.70172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC(=O)C5=CC6=C(C=C5)N=CS6

Isomeric SMILES

C[C@](CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC(=O)C5=CC6=C(C=C5)N=CS6

InChI

InChI=1S/C32H33N5O2S/c1-31(18-23-19-34-25-10-4-3-9-24(23)25,37-29(38)22-12-13-26-27(17-22)40-21-36-26)30(39)35-20-32(14-6-2-7-15-32)28-11-5-8-16-33-28/h3-5,8-13,16-17,19,21,34H,2,6-7,14-15,18,20H2,1H3,(H,35,39)(H,37,38)/t31-/m0/s1