1-(azepan-1-yl)-3-(1,3-benzothiazol-2-yl)prop-2-en-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(1,3-benzothiazol-2-yl)prop-2-en-1-one Openeye Name: 1-(azepan-1-yl)-3-(1,3-benzothiazol-2-yl)prop-2-en-1-one CAS Name: 1-(1-azepanyl)-3-(1,3-benzothiazol-2-yl)-2-propen-1-one IUPAC Name: 1-(azepan-1-yl)-3-(1,3-benzothiazol-2-yl)prop-2-en-1-one Traditional Name: 1-(azepan-1-yl)-3-(1,3-benzothiazol-2-yl)prop-2-en-1-one Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCCN(CC1)C(=O)C=CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H18N2OS/c19-16(18-11-5-1-2-6-12-18)10-9-15-17-13-7-3-4-8-14(13)20-15/h3-4,7-10H,1-2,5-6,11-12H2