(2-azanyl-1,3-benzothiazol-5-yl)-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]methanone

Systemtic Name: (2-azanyl-1,3-benzothiazol-5-yl)-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]methanone Openeye Name: (2-amino-1,3-benzothiazol-5-yl)-[(3S)-3-(4-isopropylanilino)-1-piperidyl]methanone CAS Name: (2-amino-1,3-benzothiazol-5-yl)-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]methanone IUPAC Name: (2-amino-1,3-benzothiazol-5-yl)-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone Traditional Name: (2-amino-1,3-benzothiazol-5-yl)-[(3S)-3-cumidinopiperidino]methanone Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=CC4=C(C=C3)SC(=N4)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)SC(=N4)N

InChI

InChI=1S/C22H26N4OS/c1-14(2)15-5-8-17(9-6-15)24-18-4-3-11-26(13-18)21(27)16-7-10-20-19(12-16)25-22(23)28-20/h5-10,12,14,18,24H,3-4,11,13H2,1-2H3,(H2,23,25)/t18-/m0/s1