3-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]-1,3-benzoxazol-2-one CAS Name: 3-[3-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxopropyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 3-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-3-keto-propyl]-1,3-benzoxazol-2-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCN2C3=CC=CC=C3OC2=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCN2C3=CC=CC=C3OC2=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3O3S/c26-20(11-13-25-17-8-2-3-9-18(17)28-22(25)27)24-12-5-6-15(14-24)21-23-16-7-1-4-10-19(16)29-21/h1-4,7-10,15H,5-6,11-14H2/t15-/m0/s1