(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(1,3-benzothiazol-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(1,3-benzothiazol-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(1,3-benzothiazol-2-yl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(1,3-benzothiazol-2-yl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(1,3-benzothiazol-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(1,3-benzothiazol-2-yl)prop-2-en-1-one Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H27N3O2S/c26-21(10-9-20-23-18-7-3-4-8-19(18)28-20)24-15-11-17(12-16-24)22(27)25-13-5-1-2-6-14-25/h3-4,7-10,17H,1-2,5-6,11-16H2/b10-9+