6-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)SCC(=O)N3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC3=C(C=C2)SCC(=O)N3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H20N4O2S/c26-19-12-28-18-8-7-13(10-17(18)22-19)21(27)25-9-3-4-14(11-25)20-23-15-5-1-2-6-16(15)24-20/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,22,26)(H,23,24)/t14-/m0/s1