(2S)-2-azanyl-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-amino-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-amino-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-amino-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-amino-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(methylthio)butyramide Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C22H32N4OS/c1-22(2,3)15-8-10-16(11-9-15)26-20-7-5-6-19(17(20)14-24-26)25-21(27)18(23)12-13-28-4/h8-11,14,18-19H,5-7,12-13,23H2,1-4H3,(H,25,27)/t18-,19?/m0/s1